USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 HIS : no HE2:sc= 0.197 K(o=0.2,f=-1.1) USER MOD Set 1.2: A 106 HIS : no HD1:sc= 0 X(o=0.2,f=-0.19) USER MOD Set 2.1: A 25 HIS : no HE2:sc= -3.27! C(o=-4.5!,f=-11!) USER MOD Set 2.2: A 83 HIS : no HE2:sc= -1.21 K(o=-4.5,f=-6.9!) USER MOD Set 3.1: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 35 HIS : no HE2:sc= -0.464 K(o=-0.35,f=-2.2) USER MOD Set 4.2: A 52 HIS : no HE2:sc= 0.563 K(o=-0.35,f=-2.8!) USER MOD Set 4.3: A 76 HIS : no HD1:sc= -0.45 K(o=-0.35,f=-0.87) USER MOD Set 5.1: A 22 HIS : no HE2:sc= -0.189 K(o=-0.19,f=-0.84) USER MOD Set 5.2: A 34 HIS : no HD1:sc= 0 X(o=-0.19,f=-0.19) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00738) USER MOD Single : A 14 SER OG : rot 180:sc= -0.478 USER MOD Single : A 15 GLN : amide:sc= -0.0918 X(o=-0.092,f=-0.016) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -148:sc= -0.228 (180deg=-1.03) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0924 USER MOD Single : A 32 THR OG1 : rot 127:sc= -2.29! USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.048 USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot -179:sc= -1.73! USER MOD Single : A 48 SER OG : rot -150:sc= -0.453 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 58:sc= -0.135! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 154:sc= -0.058 (180deg=-0.405) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 78 SER OG : rot 138:sc= -4.64! USER MOD Single : A 79 CYS SG : rot 52:sc= 0.031 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.094 USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00323) USER MOD Single : A 103 SER OG : rot 180:sc= 0.854 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ALA A 3 3.739 9.807 -15.578 1.00 1.00 N ATOM 26 CA ALA A 3 2.367 9.462 -15.910 1.00 1.00 C ATOM 27 C ALA A 3 1.999 8.142 -15.231 1.00 1.00 C ATOM 28 O ALA A 3 2.713 7.149 -15.366 1.00 1.00 O ATOM 29 CB ALA A 3 2.211 9.398 -17.431 1.00 1.00 C ATOM 0 HA ALA A 3 1.680 10.224 -15.543 1.00 1.00 H new ATOM 0 HB1 ALA A 3 1.182 9.139 -17.681 1.00 1.00 H new ATOM 0 HB2 ALA A 3 2.456 10.368 -17.863 1.00 1.00 H new ATOM 0 HB3 ALA A 3 2.884 8.641 -17.834 1.00 1.00 H new ATOM 35 N VAL A 4 0.884 8.172 -14.515 1.00 1.00 N ATOM 36 CA VAL A 4 0.413 6.990 -13.814 1.00 1.00 C ATOM 37 C VAL A 4 0.474 5.786 -14.755 1.00 1.00 C ATOM 38 O VAL A 4 -0.130 5.763 -15.826 1.00 1.00 O ATOM 39 CB VAL A 4 -0.988 7.239 -13.252 1.00 1.00 C ATOM 40 CG1 VAL A 4 -2.018 7.354 -14.377 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.383 6.145 -12.257 1.00 1.00 C ATOM 0 H VAL A 4 0.293 8.996 -14.406 1.00 1.00 H new ATOM 0 HA VAL A 4 1.056 6.769 -12.962 1.00 1.00 H new ATOM 0 HB VAL A 4 -0.969 8.188 -12.716 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.005 7.531 -13.950 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.751 8.184 -15.031 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -2.032 6.429 -14.953 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.383 6.346 -11.873 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.375 5.177 -12.758 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.673 6.131 -11.430 1.00 1.00 H new ATOM 51 N PRO A 5 1.227 4.771 -14.326 1.00 1.00 N ATOM 52 CA PRO A 5 1.424 3.536 -15.054 1.00 1.00 C ATOM 53 C PRO A 5 0.181 2.666 -14.929 1.00 1.00 C ATOM 54 O PRO A 5 -0.261 2.419 -13.808 1.00 1.00 O ATOM 55 CB PRO A 5 2.625 2.873 -14.383 1.00 1.00 C ATOM 56 CG PRO A 5 2.581 3.376 -12.989 1.00 1.00 C ATOM 57 CD PRO A 5 1.950 4.764 -13.073 1.00 1.00 C ATOM 0 HA PRO A 5 1.597 3.694 -16.119 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.552 1.786 -14.417 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.558 3.145 -14.876 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.992 2.716 -12.352 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.581 3.425 -12.558 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.282 4.946 -12.231 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.710 5.545 -13.051 1.00 1.00 H new ATOM 65 N ASP A 6 -0.352 2.227 -16.060 1.00 1.00 N ATOM 66 CA ASP A 6 -1.540 1.391 -16.052 1.00 1.00 C ATOM 67 C ASP A 6 -1.125 -0.077 -15.932 1.00 1.00 C ATOM 68 O ASP A 6 -1.948 -0.974 -16.108 1.00 1.00 O ATOM 69 CB ASP A 6 -2.336 1.553 -17.348 1.00 1.00 C ATOM 70 CG ASP A 6 -1.764 0.809 -18.556 1.00 1.00 C ATOM 71 OD1 ASP A 6 -0.613 0.348 -18.535 1.00 1.00 O ATOM 72 OD2 ASP A 6 -2.562 0.710 -19.564 1.00 1.00 O ATOM 0 H ASP A 6 0.017 2.435 -16.988 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.160 1.694 -15.208 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.355 1.207 -17.176 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.396 2.614 -17.589 1.00 1.00 H new ATOM 78 N LYS A 7 0.150 -0.276 -15.633 1.00 1.00 N ATOM 79 CA LYS A 7 0.684 -1.619 -15.487 1.00 1.00 C ATOM 80 C LYS A 7 1.115 -1.838 -14.036 1.00 1.00 C ATOM 81 O LYS A 7 2.240 -1.543 -13.638 1.00 1.00 O ATOM 82 CB LYS A 7 1.800 -1.865 -16.504 1.00 1.00 C ATOM 83 CG LYS A 7 2.689 -0.628 -16.653 1.00 1.00 C ATOM 84 CD LYS A 7 2.208 0.257 -17.804 1.00 1.00 C ATOM 85 CE LYS A 7 3.271 1.292 -18.181 1.00 1.00 C ATOM 86 NZ LYS A 7 3.236 1.565 -19.635 1.00 1.00 N ATOM 0 H LYS A 7 0.829 0.471 -15.488 1.00 1.00 H new ATOM 0 HA LYS A 7 -0.085 -2.360 -15.706 1.00 1.00 H new ATOM 0 HB2 LYS A 7 2.404 -2.715 -16.188 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.366 -2.124 -17.470 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.683 -0.058 -15.724 1.00 1.00 H new ATOM 0 HG3 LYS A 7 3.719 -0.936 -16.832 1.00 1.00 H new ATOM 0 HD2 LYS A 7 1.974 -0.362 -18.670 1.00 1.00 H new ATOM 0 HD3 LYS A 7 1.287 0.764 -17.517 1.00 1.00 H new ATOM 0 HE2 LYS A 7 3.100 2.215 -17.627 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.258 0.928 -17.897 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 3.963 2.269 -19.874 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 3.421 0.685 -20.158 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 2.299 1.933 -19.897 1.00 1.00 H new ATOM 99 N PRO A 8 0.181 -2.370 -13.244 1.00 1.00 N ATOM 100 CA PRO A 8 0.373 -2.662 -11.840 1.00 1.00 C ATOM 101 C PRO A 8 1.759 -3.253 -11.626 1.00 1.00 C ATOM 102 O PRO A 8 2.201 -4.046 -12.455 1.00 1.00 O ATOM 103 CB PRO A 8 -0.714 -3.680 -11.500 1.00 1.00 C ATOM 104 CG PRO A 8 -1.892 -3.117 -12.401 1.00 1.00 C ATOM 105 CD PRO A 8 -1.151 -2.729 -13.679 1.00 1.00 C ATOM 0 HA PRO A 8 0.304 -1.776 -11.209 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.432 -4.698 -11.767 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -0.965 -3.687 -10.439 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -2.660 -3.868 -12.586 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.387 -2.262 -11.940 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -1.125 -3.557 -14.387 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.641 -1.895 -14.181 1.00 1.00 H new ATOM 113 N VAL A 9 2.409 -2.864 -10.539 1.00 1.00 N ATOM 114 CA VAL A 9 3.740 -3.366 -10.242 1.00 1.00 C ATOM 115 C VAL A 9 3.655 -4.376 -9.096 1.00 1.00 C ATOM 116 O VAL A 9 2.812 -4.244 -8.209 1.00 1.00 O ATOM 117 CB VAL A 9 4.685 -2.201 -9.944 1.00 1.00 C ATOM 118 CG1 VAL A 9 5.319 -1.666 -11.230 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.960 -1.087 -9.185 1.00 1.00 C ATOM 0 H VAL A 9 2.038 -2.207 -9.853 1.00 1.00 H new ATOM 0 HA VAL A 9 4.153 -3.888 -11.105 1.00 1.00 H new ATOM 0 HB VAL A 9 5.486 -2.574 -9.306 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.986 -0.838 -10.990 1.00 1.00 H new ATOM 0 HG12 VAL A 9 5.886 -2.461 -11.714 1.00 1.00 H new ATOM 0 HG13 VAL A 9 4.536 -1.317 -11.904 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.655 -0.271 -8.986 1.00 1.00 H new ATOM 0 HG22 VAL A 9 3.129 -0.718 -9.787 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.579 -1.478 -8.241 1.00 1.00 H new ATOM 129 N GLU A 10 4.539 -5.361 -9.151 1.00 1.00 N ATOM 130 CA GLU A 10 4.574 -6.393 -8.128 1.00 1.00 C ATOM 131 C GLU A 10 5.352 -5.901 -6.905 1.00 1.00 C ATOM 132 O GLU A 10 6.362 -5.212 -7.043 1.00 1.00 O ATOM 133 CB GLU A 10 5.176 -7.688 -8.676 1.00 1.00 C ATOM 134 CG GLU A 10 6.704 -7.653 -8.613 1.00 1.00 C ATOM 135 CD GLU A 10 7.265 -6.561 -9.526 1.00 1.00 C ATOM 136 OE1 GLU A 10 7.170 -6.674 -10.757 1.00 1.00 O ATOM 137 OE2 GLU A 10 7.815 -5.567 -8.914 1.00 1.00 O ATOM 0 H GLU A 10 5.237 -5.467 -9.888 1.00 1.00 H new ATOM 0 HA GLU A 10 3.550 -6.608 -7.821 1.00 1.00 H new ATOM 0 HB2 GLU A 10 4.804 -8.537 -8.102 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.854 -7.835 -9.707 1.00 1.00 H new ATOM 0 HG2 GLU A 10 7.025 -7.475 -7.587 1.00 1.00 H new ATOM 0 HG3 GLU A 10 7.106 -8.622 -8.909 1.00 1.00 H new ATOM 145 N VAL A 11 4.852 -6.275 -5.736 1.00 1.00 N ATOM 146 CA VAL A 11 5.488 -5.880 -4.490 1.00 1.00 C ATOM 147 C VAL A 11 5.907 -7.133 -3.718 1.00 1.00 C ATOM 148 O VAL A 11 5.343 -7.437 -2.668 1.00 1.00 O ATOM 149 CB VAL A 11 4.553 -4.970 -3.691 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.253 -4.424 -2.445 1.00 1.00 C ATOM 151 CG2 VAL A 11 4.019 -3.832 -4.563 1.00 1.00 C ATOM 0 H VAL A 11 4.015 -6.847 -5.625 1.00 1.00 H new ATOM 0 HA VAL A 11 6.391 -5.302 -4.688 1.00 1.00 H new ATOM 0 HB VAL A 11 3.703 -5.568 -3.363 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.567 -3.780 -1.895 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.562 -5.253 -1.808 1.00 1.00 H new ATOM 0 HG13 VAL A 11 6.130 -3.849 -2.743 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.357 -3.200 -3.971 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.853 -3.236 -4.935 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.466 -4.248 -5.405 1.00 1.00 H new ATOM 161 N LYS A 12 6.893 -7.826 -4.268 1.00 1.00 N ATOM 162 CA LYS A 12 7.394 -9.039 -3.644 1.00 1.00 C ATOM 163 C LYS A 12 7.982 -8.697 -2.274 1.00 1.00 C ATOM 164 O LYS A 12 9.196 -8.561 -2.132 1.00 1.00 O ATOM 165 CB LYS A 12 8.376 -9.754 -4.574 1.00 1.00 C ATOM 166 CG LYS A 12 9.487 -8.806 -5.031 1.00 1.00 C ATOM 167 CD LYS A 12 9.511 -8.685 -6.556 1.00 1.00 C ATOM 168 CE LYS A 12 10.280 -9.848 -7.186 1.00 1.00 C ATOM 169 NZ LYS A 12 11.739 -9.616 -7.091 1.00 1.00 N ATOM 0 H LYS A 12 7.359 -7.571 -5.139 1.00 1.00 H new ATOM 0 HA LYS A 12 6.580 -9.744 -3.475 1.00 1.00 H new ATOM 0 HB2 LYS A 12 8.812 -10.610 -4.059 1.00 1.00 H new ATOM 0 HB3 LYS A 12 7.844 -10.142 -5.443 1.00 1.00 H new ATOM 0 HG2 LYS A 12 9.336 -7.822 -4.587 1.00 1.00 H new ATOM 0 HG3 LYS A 12 10.451 -9.171 -4.676 1.00 1.00 H new ATOM 0 HD2 LYS A 12 8.491 -8.669 -6.939 1.00 1.00 H new ATOM 0 HD3 LYS A 12 9.974 -7.741 -6.842 1.00 1.00 H new ATOM 0 HE2 LYS A 12 10.020 -10.779 -6.682 1.00 1.00 H new ATOM 0 HE3 LYS A 12 9.991 -9.960 -8.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 12.245 -10.380 -7.583 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 11.975 -8.705 -7.533 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 12.024 -9.600 -6.091 1.00 1.00 H new ATOM 182 N GLY A 13 7.093 -8.567 -1.299 1.00 1.00 N ATOM 183 CA GLY A 13 7.510 -8.243 0.054 1.00 1.00 C ATOM 184 C GLY A 13 8.535 -9.255 0.570 1.00 1.00 C ATOM 185 O GLY A 13 9.673 -9.282 0.105 1.00 1.00 O ATOM 0 H GLY A 13 6.087 -8.680 -1.420 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.940 -7.242 0.076 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.642 -8.231 0.713 1.00 1.00 H new ATOM 189 N SER A 14 8.094 -10.062 1.524 1.00 1.00 N ATOM 190 CA SER A 14 8.959 -11.073 2.108 1.00 1.00 C ATOM 191 C SER A 14 9.000 -12.309 1.208 1.00 1.00 C ATOM 192 O SER A 14 10.045 -12.641 0.650 1.00 1.00 O ATOM 193 CB SER A 14 8.490 -11.454 3.513 1.00 1.00 C ATOM 194 OG SER A 14 8.335 -12.863 3.660 1.00 1.00 O ATOM 0 H SER A 14 7.149 -10.036 1.907 1.00 1.00 H new ATOM 0 HA SER A 14 9.964 -10.658 2.190 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.209 -11.090 4.247 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.541 -10.961 3.725 1.00 1.00 H new ATOM 0 HG SER A 14 8.036 -13.066 4.571 1.00 1.00 H new ATOM 200 N GLN A 15 7.850 -12.958 1.094 1.00 1.00 N ATOM 201 CA GLN A 15 7.741 -14.150 0.271 1.00 1.00 C ATOM 202 C GLN A 15 6.544 -14.035 -0.675 1.00 1.00 C ATOM 203 O GLN A 15 6.706 -14.069 -1.893 1.00 1.00 O ATOM 204 CB GLN A 15 7.636 -15.407 1.138 1.00 1.00 C ATOM 205 CG GLN A 15 8.325 -16.596 0.465 1.00 1.00 C ATOM 206 CD GLN A 15 9.436 -17.160 1.353 1.00 1.00 C ATOM 207 OE1 GLN A 15 10.582 -17.286 0.952 1.00 1.00 O ATOM 208 NE2 GLN A 15 9.036 -17.491 2.577 1.00 1.00 N ATOM 0 H GLN A 15 6.985 -12.680 1.558 1.00 1.00 H new ATOM 0 HA GLN A 15 8.646 -14.237 -0.330 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.091 -15.221 2.111 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.587 -15.643 1.317 1.00 1.00 H new ATOM 0 HG2 GLN A 15 7.592 -17.375 0.255 1.00 1.00 H new ATOM 0 HG3 GLN A 15 8.743 -16.285 -0.493 1.00 1.00 H new ATOM 0 HE21 GLN A 15 8.061 -17.360 2.848 1.00 1.00 H new ATOM 0 HE22 GLN A 15 9.704 -17.876 3.245 1.00 1.00 H new ATOM 217 N LYS A 16 5.369 -13.902 -0.077 1.00 1.00 N ATOM 218 CA LYS A 16 4.145 -13.782 -0.851 1.00 1.00 C ATOM 219 C LYS A 16 4.251 -12.570 -1.779 1.00 1.00 C ATOM 220 O LYS A 16 4.719 -11.509 -1.369 1.00 1.00 O ATOM 221 CB LYS A 16 2.928 -13.744 0.074 1.00 1.00 C ATOM 222 CG LYS A 16 2.298 -15.132 0.208 1.00 1.00 C ATOM 223 CD LYS A 16 1.105 -15.288 -0.738 1.00 1.00 C ATOM 224 CE LYS A 16 -0.210 -14.995 -0.014 1.00 1.00 C ATOM 225 NZ LYS A 16 -0.886 -16.257 0.363 1.00 1.00 N ATOM 0 H LYS A 16 5.239 -13.875 0.934 1.00 1.00 H new ATOM 0 HA LYS A 16 4.007 -14.658 -1.485 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.225 -13.379 1.057 1.00 1.00 H new ATOM 0 HB3 LYS A 16 2.191 -13.042 -0.317 1.00 1.00 H new ATOM 0 HG2 LYS A 16 3.043 -15.896 -0.012 1.00 1.00 H new ATOM 0 HG3 LYS A 16 1.974 -15.290 1.237 1.00 1.00 H new ATOM 0 HD2 LYS A 16 1.217 -14.611 -1.585 1.00 1.00 H new ATOM 0 HD3 LYS A 16 1.085 -16.301 -1.140 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -0.016 -14.399 0.878 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -0.862 -14.404 -0.657 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -1.777 -16.040 0.854 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -1.088 -16.812 -0.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -0.268 -16.807 0.994 1.00 1.00 H new ATOM 238 N THR A 17 3.807 -12.768 -3.012 1.00 1.00 N ATOM 239 CA THR A 17 3.846 -11.704 -4.001 1.00 1.00 C ATOM 240 C THR A 17 2.484 -11.015 -4.096 1.00 1.00 C ATOM 241 O THR A 17 1.451 -11.679 -4.164 1.00 1.00 O ATOM 242 CB THR A 17 4.315 -12.307 -5.326 1.00 1.00 C ATOM 243 OG1 THR A 17 5.654 -12.720 -5.065 1.00 1.00 O ATOM 244 CG2 THR A 17 4.458 -11.257 -6.430 1.00 1.00 C ATOM 0 H THR A 17 3.419 -13.649 -3.348 1.00 1.00 H new ATOM 0 HA THR A 17 4.551 -10.924 -3.715 1.00 1.00 H new ATOM 0 HB THR A 17 3.610 -13.075 -5.644 1.00 1.00 H new ATOM 0 HG1 THR A 17 6.035 -13.125 -5.872 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.793 -11.738 -7.349 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.495 -10.777 -6.603 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.188 -10.507 -6.126 1.00 1.00 H new ATOM 252 N VAL A 18 2.525 -9.690 -4.097 1.00 1.00 N ATOM 253 CA VAL A 18 1.306 -8.903 -4.182 1.00 1.00 C ATOM 254 C VAL A 18 1.512 -7.759 -5.176 1.00 1.00 C ATOM 255 O VAL A 18 2.477 -7.004 -5.068 1.00 1.00 O ATOM 256 CB VAL A 18 0.898 -8.419 -2.789 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.475 -7.743 -2.825 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.916 -9.570 -1.781 1.00 1.00 C ATOM 0 H VAL A 18 3.383 -9.142 -4.040 1.00 1.00 H new ATOM 0 HA VAL A 18 0.482 -9.512 -4.554 1.00 1.00 H new ATOM 0 HB VAL A 18 1.629 -7.678 -2.464 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.742 -7.408 -1.823 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.441 -6.886 -3.497 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.221 -8.453 -3.181 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.622 -9.199 -0.799 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.218 -10.344 -2.100 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.921 -9.989 -1.725 1.00 1.00 H new ATOM 268 N MET A 19 0.589 -7.667 -6.122 1.00 1.00 N ATOM 269 CA MET A 19 0.657 -6.627 -7.135 1.00 1.00 C ATOM 270 C MET A 19 -0.429 -5.573 -6.912 1.00 1.00 C ATOM 271 O MET A 19 -1.598 -5.909 -6.729 1.00 1.00 O ATOM 272 CB MET A 19 0.486 -7.252 -8.521 1.00 1.00 C ATOM 273 CG MET A 19 -0.732 -8.177 -8.558 1.00 1.00 C ATOM 274 SD MET A 19 -0.230 -9.860 -8.240 1.00 1.00 S ATOM 275 CE MET A 19 0.687 -10.198 -9.734 1.00 1.00 C ATOM 0 H MET A 19 -0.210 -8.295 -6.209 1.00 1.00 H new ATOM 0 HA MET A 19 1.630 -6.140 -7.064 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.373 -6.466 -9.267 1.00 1.00 H new ATOM 0 HB3 MET A 19 1.382 -7.814 -8.784 1.00 1.00 H new ATOM 0 HG2 MET A 19 -1.463 -7.860 -7.814 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.219 -8.112 -9.531 1.00 1.00 H new ATOM 0 HE1 MET A 19 0.589 -11.253 -9.990 1.00 1.00 H new ATOM 0 HE2 MET A 19 0.294 -9.589 -10.548 1.00 1.00 H new ATOM 0 HE3 MET A 19 1.739 -9.959 -9.577 1.00 1.00 H new ATOM 285 N PHE A 20 -0.004 -4.318 -6.935 1.00 1.00 N ATOM 286 CA PHE A 20 -0.926 -3.212 -6.738 1.00 1.00 C ATOM 287 C PHE A 20 -1.196 -2.481 -8.055 1.00 1.00 C ATOM 288 O PHE A 20 -0.287 -2.037 -8.753 1.00 1.00 O ATOM 289 CB PHE A 20 -0.261 -2.244 -5.758 1.00 1.00 C ATOM 290 CG PHE A 20 -0.854 -0.834 -5.777 1.00 1.00 C ATOM 291 CD1 PHE A 20 -1.955 -0.549 -5.031 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.280 0.135 -6.540 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.505 0.760 -5.049 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.830 1.444 -6.557 1.00 1.00 C ATOM 295 CZ PHE A 20 -1.931 1.729 -5.811 1.00 1.00 C ATOM 0 H PHE A 20 0.966 -4.043 -7.087 1.00 1.00 H new ATOM 0 HA PHE A 20 -1.878 -3.585 -6.359 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.345 -2.649 -4.750 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.803 -2.183 -5.989 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.411 -1.318 -4.425 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.594 -0.091 -7.133 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.380 0.986 -4.457 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.374 2.213 -7.162 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.349 2.725 -5.824 1.00 1.00 H new ATOM 305 N PRO A 21 -2.485 -2.366 -8.383 1.00 1.00 N ATOM 306 CA PRO A 21 -2.966 -1.712 -9.580 1.00 1.00 C ATOM 307 C PRO A 21 -3.178 -0.230 -9.303 1.00 1.00 C ATOM 308 O PRO A 21 -3.672 0.115 -8.232 1.00 1.00 O ATOM 309 CB PRO A 21 -4.290 -2.404 -9.899 1.00 1.00 C ATOM 310 CG PRO A 21 -4.830 -2.614 -8.421 1.00 1.00 C ATOM 311 CD PRO A 21 -3.579 -2.876 -7.586 1.00 1.00 C ATOM 0 HA PRO A 21 -2.266 -1.783 -10.412 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -4.952 -1.785 -10.504 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.155 -3.344 -10.434 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.366 -1.734 -8.066 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.524 -3.453 -8.368 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.635 -2.370 -6.622 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.456 -3.940 -7.381 1.00 1.00 H new ATOM 319 N HIS A 22 -2.805 0.617 -10.263 1.00 1.00 N ATOM 320 CA HIS A 22 -2.945 2.063 -10.141 1.00 1.00 C ATOM 321 C HIS A 22 -4.342 2.494 -10.624 1.00 1.00 C ATOM 322 O HIS A 22 -4.914 3.445 -10.093 1.00 1.00 O ATOM 323 CB HIS A 22 -1.783 2.740 -10.883 1.00 1.00 C ATOM 324 CG HIS A 22 -0.535 3.023 -10.079 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.586 2.309 -10.214 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.271 3.973 -9.120 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.513 2.794 -9.373 1.00 1.00 C ATOM 328 NE2 HIS A 22 1.036 3.823 -8.674 1.00 1.00 N ATOM 0 H HIS A 22 -2.397 0.316 -11.148 1.00 1.00 H new ATOM 0 HA HIS A 22 -2.880 2.383 -9.101 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.507 2.110 -11.729 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.145 3.683 -11.292 1.00 1.00 H new ATOM 0 HD1 HIS A 22 0.716 1.524 -10.852 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -0.970 4.718 -8.769 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.514 2.401 -9.276 1.00 1.00 H new ATOM 336 N ALA A 23 -4.844 1.776 -11.618 1.00 1.00 N ATOM 337 CA ALA A 23 -6.155 2.075 -12.169 1.00 1.00 C ATOM 338 C ALA A 23 -7.159 2.236 -11.026 1.00 1.00 C ATOM 339 O ALA A 23 -7.849 3.246 -10.901 1.00 1.00 O ATOM 340 CB ALA A 23 -6.560 0.973 -13.150 1.00 1.00 C ATOM 0 H ALA A 23 -4.367 0.988 -12.056 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.133 3.013 -12.723 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.543 1.197 -13.563 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -5.830 0.919 -13.958 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.595 0.017 -12.628 1.00 1.00 H new ATOM 346 N PRO A 24 -7.226 1.203 -10.184 1.00 1.00 N ATOM 347 CA PRO A 24 -8.103 1.142 -9.034 1.00 1.00 C ATOM 348 C PRO A 24 -7.718 2.229 -8.040 1.00 1.00 C ATOM 349 O PRO A 24 -8.422 2.413 -7.050 1.00 1.00 O ATOM 350 CB PRO A 24 -7.877 -0.247 -8.442 1.00 1.00 C ATOM 351 CG PRO A 24 -7.243 -1.082 -9.596 1.00 1.00 C ATOM 352 CD PRO A 24 -6.429 0.000 -10.301 1.00 1.00 C ATOM 0 HA PRO A 24 -9.150 1.302 -9.290 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.215 -0.204 -7.577 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -8.814 -0.689 -8.105 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.620 -1.896 -9.226 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -7.995 -1.527 -10.248 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.452 0.126 -9.834 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.252 -0.256 -11.346 1.00 1.00 H new ATOM 360 N HIS A 25 -6.615 2.926 -8.315 1.00 1.00 N ATOM 361 CA HIS A 25 -6.121 3.996 -7.456 1.00 1.00 C ATOM 362 C HIS A 25 -5.740 5.218 -8.312 1.00 1.00 C ATOM 363 O HIS A 25 -4.718 5.854 -8.061 1.00 1.00 O ATOM 364 CB HIS A 25 -4.976 3.450 -6.590 1.00 1.00 C ATOM 365 CG HIS A 25 -5.288 2.245 -5.732 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.110 0.992 -6.159 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.775 2.147 -4.450 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.472 0.145 -5.182 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.891 0.806 -4.104 1.00 1.00 N ATOM 0 H HIS A 25 -6.040 2.762 -9.141 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.893 4.345 -6.770 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.145 3.194 -7.247 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.631 4.252 -5.937 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.757 0.723 -7.077 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.028 2.981 -3.812 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.429 -0.931 -5.260 1.00 1.00 H new ATOM 377 N GLU A 26 -6.578 5.503 -9.297 1.00 1.00 N ATOM 378 CA GLU A 26 -6.338 6.630 -10.182 1.00 1.00 C ATOM 379 C GLU A 26 -7.181 7.832 -9.750 1.00 1.00 C ATOM 380 O GLU A 26 -7.206 8.855 -10.432 1.00 1.00 O ATOM 381 CB GLU A 26 -6.623 6.256 -11.637 1.00 1.00 C ATOM 382 CG GLU A 26 -5.400 6.517 -12.519 1.00 1.00 C ATOM 383 CD GLU A 26 -5.790 7.284 -13.785 1.00 1.00 C ATOM 384 OE1 GLU A 26 -6.282 8.418 -13.695 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.564 6.661 -14.891 1.00 1.00 O ATOM 0 H GLU A 26 -7.425 4.973 -9.502 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.285 6.904 -10.112 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.902 5.204 -11.698 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.471 6.833 -12.005 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.658 7.086 -11.959 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.935 5.570 -12.792 1.00 1.00 H new ATOM 393 N LYS A 27 -7.852 7.668 -8.619 1.00 1.00 N ATOM 394 CA LYS A 27 -8.694 8.727 -8.088 1.00 1.00 C ATOM 395 C LYS A 27 -8.103 9.230 -6.770 1.00 1.00 C ATOM 396 O LYS A 27 -8.387 10.349 -6.345 1.00 1.00 O ATOM 397 CB LYS A 27 -10.143 8.250 -7.970 1.00 1.00 C ATOM 398 CG LYS A 27 -10.971 8.710 -9.172 1.00 1.00 C ATOM 399 CD LYS A 27 -11.695 10.024 -8.868 1.00 1.00 C ATOM 400 CE LYS A 27 -13.084 9.761 -8.281 1.00 1.00 C ATOM 401 NZ LYS A 27 -14.072 10.709 -8.842 1.00 1.00 N ATOM 0 H LYS A 27 -7.830 6.818 -8.056 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.716 9.575 -8.772 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.167 7.162 -7.902 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.583 8.637 -7.051 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.321 8.840 -10.037 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -11.699 7.941 -9.433 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -11.106 10.614 -8.167 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -11.787 10.612 -9.781 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -13.389 8.737 -8.498 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -13.051 9.860 -7.196 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -15.009 10.517 -8.433 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.788 11.683 -8.613 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -14.115 10.595 -9.875 1.00 1.00 H new ATOM 414 N VAL A 28 -7.291 8.379 -6.159 1.00 1.00 N ATOM 415 CA VAL A 28 -6.658 8.724 -4.898 1.00 1.00 C ATOM 416 C VAL A 28 -5.377 9.514 -5.174 1.00 1.00 C ATOM 417 O VAL A 28 -4.508 9.056 -5.913 1.00 1.00 O ATOM 418 CB VAL A 28 -6.413 7.459 -4.073 1.00 1.00 C ATOM 419 CG1 VAL A 28 -5.976 7.809 -2.649 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.653 6.563 -4.061 1.00 1.00 C ATOM 0 H VAL A 28 -7.057 7.452 -6.514 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.312 9.363 -4.305 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.603 6.903 -4.545 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -5.809 6.892 -2.084 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.053 8.388 -2.684 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.755 8.397 -2.164 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.452 5.671 -3.468 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.491 7.107 -3.625 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -7.901 6.272 -5.082 1.00 1.00 H new ATOM 430 N GLU A 29 -5.302 10.689 -4.566 1.00 1.00 N ATOM 431 CA GLU A 29 -4.142 11.547 -4.737 1.00 1.00 C ATOM 432 C GLU A 29 -2.856 10.757 -4.491 1.00 1.00 C ATOM 433 O GLU A 29 -2.780 9.964 -3.555 1.00 1.00 O ATOM 434 CB GLU A 29 -4.222 12.767 -3.816 1.00 1.00 C ATOM 435 CG GLU A 29 -5.387 13.677 -4.210 1.00 1.00 C ATOM 436 CD GLU A 29 -5.015 14.557 -5.405 1.00 1.00 C ATOM 437 OE1 GLU A 29 -5.015 14.080 -6.550 1.00 1.00 O ATOM 438 OE2 GLU A 29 -4.720 15.778 -5.112 1.00 1.00 O ATOM 0 H GLU A 29 -6.026 11.067 -3.954 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.131 11.909 -5.765 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -4.345 12.440 -2.783 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.287 13.326 -3.865 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -6.259 13.071 -4.457 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.665 14.305 -3.364 1.00 1.00 H new ATOM 446 N CYS A 30 -1.876 11.002 -5.349 1.00 1.00 N ATOM 447 CA CYS A 30 -0.596 10.323 -5.236 1.00 1.00 C ATOM 448 C CYS A 30 -0.099 10.470 -3.796 1.00 1.00 C ATOM 449 O CYS A 30 0.134 9.474 -3.112 1.00 1.00 O ATOM 450 CB CYS A 30 0.419 10.859 -6.247 1.00 1.00 C ATOM 451 SG CYS A 30 -0.263 11.208 -7.909 1.00 1.00 S ATOM 0 H CYS A 30 -1.943 11.661 -6.125 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.721 9.266 -5.470 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.857 11.775 -5.850 1.00 1.00 H new ATOM 0 HB3 CYS A 30 1.228 10.136 -6.346 1.00 1.00 H new ATOM 0 HG CYS A 30 0.682 11.658 -8.680 1.00 1.00 H new ATOM 456 N VAL A 31 0.047 11.719 -3.379 1.00 1.00 N ATOM 457 CA VAL A 31 0.512 12.008 -2.033 1.00 1.00 C ATOM 458 C VAL A 31 -0.081 10.985 -1.063 1.00 1.00 C ATOM 459 O VAL A 31 0.643 10.386 -0.268 1.00 1.00 O ATOM 460 CB VAL A 31 0.170 13.452 -1.661 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.315 13.741 -1.893 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.569 13.755 -0.215 1.00 1.00 C ATOM 0 H VAL A 31 -0.148 12.542 -3.949 1.00 1.00 H new ATOM 0 HA VAL A 31 1.597 11.919 -1.976 1.00 1.00 H new ATOM 0 HB VAL A 31 0.745 14.111 -2.312 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.531 14.774 -1.621 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.556 13.585 -2.944 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -1.916 13.070 -1.279 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.315 14.788 0.024 1.00 1.00 H new ATOM 0 HG22 VAL A 31 0.034 13.085 0.458 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.642 13.608 -0.095 1.00 1.00 H new ATOM 472 N THR A 32 -1.391 10.814 -1.159 1.00 1.00 N ATOM 473 CA THR A 32 -2.089 9.874 -0.299 1.00 1.00 C ATOM 474 C THR A 32 -1.219 8.642 -0.040 1.00 1.00 C ATOM 475 O THR A 32 -0.992 8.269 1.110 1.00 1.00 O ATOM 476 CB THR A 32 -3.432 9.542 -0.953 1.00 1.00 C ATOM 477 OG1 THR A 32 -3.849 10.775 -1.533 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.521 9.226 0.074 1.00 1.00 C ATOM 0 H THR A 32 -1.988 11.311 -1.820 1.00 1.00 H new ATOM 0 HA THR A 32 -2.287 10.307 0.682 1.00 1.00 H new ATOM 0 HB THR A 32 -3.309 8.692 -1.624 1.00 1.00 H new ATOM 0 HG1 THR A 32 -4.051 10.638 -2.482 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.453 8.997 -0.443 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.218 8.367 0.673 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.669 10.088 0.725 1.00 1.00 H new ATOM 486 N CYS A 33 -0.755 8.045 -1.128 1.00 1.00 N ATOM 487 CA CYS A 33 0.085 6.863 -1.032 1.00 1.00 C ATOM 488 C CYS A 33 1.547 7.313 -1.017 1.00 1.00 C ATOM 489 O CYS A 33 2.303 6.970 -0.110 1.00 1.00 O ATOM 490 CB CYS A 33 -0.196 5.876 -2.167 1.00 1.00 C ATOM 491 SG CYS A 33 -1.521 4.715 -1.672 1.00 1.00 S ATOM 0 H CYS A 33 -0.945 8.358 -2.080 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.139 6.328 -0.109 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -0.492 6.417 -3.066 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.711 5.323 -2.412 1.00 1.00 H new ATOM 0 HG CYS A 33 -1.754 3.883 -2.643 1.00 1.00 H new ATOM 496 N HIS A 34 1.910 8.085 -2.042 1.00 1.00 N ATOM 497 CA HIS A 34 3.262 8.610 -2.197 1.00 1.00 C ATOM 498 C HIS A 34 3.432 9.874 -1.334 1.00 1.00 C ATOM 499 O HIS A 34 3.577 10.975 -1.861 1.00 1.00 O ATOM 500 CB HIS A 34 3.543 8.824 -3.692 1.00 1.00 C ATOM 501 CG HIS A 34 3.487 7.599 -4.576 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.469 6.694 -4.614 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.528 7.160 -5.457 1.00 1.00 C ATOM 504 CE1 HIS A 34 4.135 5.728 -5.485 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.945 5.967 -6.034 1.00 1.00 N ATOM 0 H HIS A 34 1.272 8.363 -2.788 1.00 1.00 H new ATOM 0 HA HIS A 34 4.009 7.903 -1.836 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.825 9.551 -4.072 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.532 9.270 -3.792 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.596 7.664 -5.668 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.751 4.870 -5.711 1.00 1.00 H new ATOM 0 HE2 HIS A 34 2.451 5.401 -6.724 1.00 1.00 H new ATOM 513 N HIS A 35 3.410 9.671 -0.016 1.00 1.00 N ATOM 514 CA HIS A 35 3.558 10.751 0.953 1.00 1.00 C ATOM 515 C HIS A 35 4.762 11.631 0.573 1.00 1.00 C ATOM 516 O HIS A 35 5.634 11.195 -0.177 1.00 1.00 O ATOM 517 CB HIS A 35 3.637 10.146 2.363 1.00 1.00 C ATOM 518 CG HIS A 35 4.901 9.394 2.709 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.098 9.986 2.769 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.114 8.070 3.013 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.020 9.068 3.097 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.466 7.867 3.260 1.00 1.00 N ATOM 0 H HIS A 35 3.289 8.751 0.407 1.00 1.00 H new ATOM 0 HA HIS A 35 2.694 11.415 0.945 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.512 10.952 3.086 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.792 9.469 2.490 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.281 10.974 2.594 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.350 7.308 3.053 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.073 9.275 3.214 1.00 1.00 H new ATOM 530 N LEU A 36 4.769 12.844 1.107 1.00 1.00 N ATOM 531 CA LEU A 36 5.849 13.777 0.831 1.00 1.00 C ATOM 532 C LEU A 36 7.041 13.451 1.733 1.00 1.00 C ATOM 533 O LEU A 36 6.867 12.938 2.837 1.00 1.00 O ATOM 534 CB LEU A 36 5.356 15.219 0.960 1.00 1.00 C ATOM 535 CG LEU A 36 3.928 15.486 0.480 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.027 15.900 1.645 1.00 1.00 C ATOM 537 CD2 LEU A 36 3.913 16.517 -0.651 1.00 1.00 C ATOM 0 H LEU A 36 4.044 13.202 1.729 1.00 1.00 H new ATOM 0 HA LEU A 36 6.190 13.672 -0.199 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.427 15.514 2.007 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.033 15.865 0.400 1.00 1.00 H new ATOM 0 HG LEU A 36 3.525 14.558 0.075 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.018 16.084 1.277 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.003 15.102 2.387 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.418 16.809 2.102 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.886 16.688 -0.974 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.343 17.453 -0.295 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.500 16.144 -1.491 1.00 1.00 H new ATOM 549 N VAL A 37 8.226 13.762 1.229 1.00 1.00 N ATOM 550 CA VAL A 37 9.447 13.509 1.975 1.00 1.00 C ATOM 551 C VAL A 37 10.217 14.820 2.145 1.00 1.00 C ATOM 552 O VAL A 37 10.715 15.383 1.171 1.00 1.00 O ATOM 553 CB VAL A 37 10.268 12.420 1.281 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.609 12.211 1.987 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.482 11.110 1.199 1.00 1.00 C ATOM 0 H VAL A 37 8.367 14.187 0.313 1.00 1.00 H new ATOM 0 HA VAL A 37 9.214 13.137 2.973 1.00 1.00 H new ATOM 0 HB VAL A 37 10.473 12.752 0.263 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.173 11.432 1.474 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.178 13.141 1.971 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.433 11.911 3.020 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.088 10.353 0.702 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.232 10.772 2.205 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.565 11.271 0.632 1.00 1.00 H new ATOM 565 N ASP A 38 10.290 15.269 3.389 1.00 1.00 N ATOM 566 CA ASP A 38 10.991 16.504 3.700 1.00 1.00 C ATOM 567 C ASP A 38 10.435 17.633 2.829 1.00 1.00 C ATOM 568 O ASP A 38 11.191 18.465 2.329 1.00 1.00 O ATOM 569 CB ASP A 38 12.487 16.375 3.410 1.00 1.00 C ATOM 570 CG ASP A 38 13.405 17.017 4.452 1.00 1.00 C ATOM 571 OD1 ASP A 38 12.939 17.668 5.399 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.666 16.823 4.261 1.00 1.00 O ATOM 0 H ASP A 38 9.875 14.800 4.194 1.00 1.00 H new ATOM 0 HA ASP A 38 10.846 16.718 4.759 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.737 15.317 3.331 1.00 1.00 H new ATOM 0 HB3 ASP A 38 12.694 16.825 2.439 1.00 1.00 H new ATOM 578 N GLY A 39 9.119 17.626 2.675 1.00 1.00 N ATOM 579 CA GLY A 39 8.454 18.639 1.874 1.00 1.00 C ATOM 580 C GLY A 39 9.023 18.676 0.454 1.00 1.00 C ATOM 581 O GLY A 39 9.111 19.740 -0.155 1.00 1.00 O ATOM 0 H GLY A 39 8.496 16.935 3.092 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.384 18.433 1.836 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.574 19.615 2.343 1.00 1.00 H new ATOM 585 N LYS A 40 9.392 17.500 -0.031 1.00 1.00 N ATOM 586 CA LYS A 40 9.950 17.384 -1.368 1.00 1.00 C ATOM 587 C LYS A 40 9.280 16.216 -2.095 1.00 1.00 C ATOM 588 O LYS A 40 9.612 15.057 -1.853 1.00 1.00 O ATOM 589 CB LYS A 40 11.475 17.276 -1.305 1.00 1.00 C ATOM 590 CG LYS A 40 12.112 17.745 -2.615 1.00 1.00 C ATOM 591 CD LYS A 40 12.286 19.265 -2.626 1.00 1.00 C ATOM 592 CE LYS A 40 13.767 19.647 -2.675 1.00 1.00 C ATOM 593 NZ LYS A 40 13.921 21.117 -2.747 1.00 1.00 N ATOM 0 H LYS A 40 9.316 16.619 0.477 1.00 1.00 H new ATOM 0 HA LYS A 40 9.741 18.283 -1.948 1.00 1.00 H new ATOM 0 HB2 LYS A 40 11.852 17.877 -0.477 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.762 16.244 -1.106 1.00 1.00 H new ATOM 0 HG2 LYS A 40 13.081 17.263 -2.745 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.489 17.440 -3.456 1.00 1.00 H new ATOM 0 HD2 LYS A 40 11.769 19.688 -3.488 1.00 1.00 H new ATOM 0 HD3 LYS A 40 11.825 19.694 -1.736 1.00 1.00 H new ATOM 0 HE2 LYS A 40 14.277 19.265 -1.790 1.00 1.00 H new ATOM 0 HE3 LYS A 40 14.240 19.183 -3.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 14.932 21.359 -2.780 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 13.452 21.474 -3.604 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 13.488 21.553 -1.908 1.00 1.00 H new ATOM 606 N GLU A 41 8.350 16.563 -2.973 1.00 1.00 N ATOM 607 CA GLU A 41 7.631 15.558 -3.737 1.00 1.00 C ATOM 608 C GLU A 41 8.596 14.484 -4.243 1.00 1.00 C ATOM 609 O GLU A 41 9.614 14.799 -4.858 1.00 1.00 O ATOM 610 CB GLU A 41 6.864 16.196 -4.897 1.00 1.00 C ATOM 611 CG GLU A 41 7.819 16.892 -5.869 1.00 1.00 C ATOM 612 CD GLU A 41 7.415 18.352 -6.085 1.00 1.00 C ATOM 613 OE1 GLU A 41 6.225 18.643 -6.278 1.00 1.00 O ATOM 614 OE2 GLU A 41 8.387 19.198 -6.045 1.00 1.00 O ATOM 0 H GLU A 41 8.078 17.526 -3.172 1.00 1.00 H new ATOM 0 HA GLU A 41 6.902 15.083 -3.080 1.00 1.00 H new ATOM 0 HB2 GLU A 41 6.295 15.431 -5.426 1.00 1.00 H new ATOM 0 HB3 GLU A 41 6.145 16.917 -4.509 1.00 1.00 H new ATOM 0 HG2 GLU A 41 8.836 16.846 -5.480 1.00 1.00 H new ATOM 0 HG3 GLU A 41 7.819 16.366 -6.824 1.00 1.00 H new ATOM 622 N SER A 42 8.243 13.238 -3.965 1.00 1.00 N ATOM 623 CA SER A 42 9.066 12.116 -4.384 1.00 1.00 C ATOM 624 C SER A 42 8.177 10.960 -4.848 1.00 1.00 C ATOM 625 O SER A 42 7.014 10.839 -4.472 1.00 1.00 O ATOM 626 CB SER A 42 9.987 11.655 -3.252 1.00 1.00 C ATOM 627 OG SER A 42 10.698 10.468 -3.593 1.00 1.00 O ATOM 0 H SER A 42 7.398 12.980 -3.455 1.00 1.00 H new ATOM 0 HA SER A 42 9.691 12.442 -5.215 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.697 12.448 -3.016 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.396 11.478 -2.353 1.00 1.00 H new ATOM 0 HG SER A 42 11.276 10.207 -2.846 1.00 1.00 H new ATOM 633 N TYR A 43 8.761 10.101 -5.688 1.00 1.00 N ATOM 634 CA TYR A 43 8.054 8.955 -6.220 1.00 1.00 C ATOM 635 C TYR A 43 9.023 7.799 -6.423 1.00 1.00 C ATOM 636 O TYR A 43 9.120 7.294 -7.541 1.00 1.00 O ATOM 637 CB TYR A 43 7.386 9.338 -7.538 1.00 1.00 C ATOM 638 CG TYR A 43 6.269 10.341 -7.378 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.567 11.688 -7.136 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.935 9.925 -7.471 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.531 12.618 -6.989 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.899 10.856 -7.323 1.00 1.00 C ATOM 643 CZ TYR A 43 4.197 12.202 -7.082 1.00 1.00 C ATOM 644 OH TYR A 43 3.189 13.109 -6.938 1.00 1.00 O ATOM 0 H TYR A 43 9.725 10.187 -6.009 1.00 1.00 H new ATOM 0 HA TYR A 43 7.285 8.638 -5.516 1.00 1.00 H new ATOM 0 HB2 TYR A 43 8.138 9.748 -8.212 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.991 8.439 -8.011 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.596 12.009 -7.063 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.705 8.886 -7.657 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.761 13.657 -6.804 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.870 10.535 -7.395 1.00 1.00 H new ATOM 0 HH TYR A 43 2.350 12.720 -7.263 1.00 1.00 H new ATOM 654 N ALA A 44 9.709 7.406 -5.360 1.00 1.00 N ATOM 655 CA ALA A 44 10.660 6.311 -5.445 1.00 1.00 C ATOM 656 C ALA A 44 9.992 5.022 -4.965 1.00 1.00 C ATOM 657 O ALA A 44 9.161 5.050 -4.059 1.00 1.00 O ATOM 658 CB ALA A 44 11.911 6.657 -4.634 1.00 1.00 C ATOM 0 H ALA A 44 9.625 7.827 -4.435 1.00 1.00 H new ATOM 0 HA ALA A 44 10.974 6.155 -6.477 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.625 5.836 -4.698 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.365 7.564 -5.034 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.636 6.819 -3.592 1.00 1.00 H new ATOM 664 N LYS A 45 10.379 3.922 -5.594 1.00 1.00 N ATOM 665 CA LYS A 45 9.828 2.625 -5.242 1.00 1.00 C ATOM 666 C LYS A 45 9.680 2.534 -3.722 1.00 1.00 C ATOM 667 O LYS A 45 10.509 3.060 -2.981 1.00 1.00 O ATOM 668 CB LYS A 45 10.673 1.502 -5.846 1.00 1.00 C ATOM 669 CG LYS A 45 9.790 0.346 -6.322 1.00 1.00 C ATOM 670 CD LYS A 45 10.596 -0.655 -7.152 1.00 1.00 C ATOM 671 CE LYS A 45 10.302 -2.091 -6.715 1.00 1.00 C ATOM 672 NZ LYS A 45 11.532 -2.741 -6.209 1.00 1.00 N ATOM 0 H LYS A 45 11.068 3.903 -6.346 1.00 1.00 H new ATOM 0 HA LYS A 45 8.831 2.506 -5.667 1.00 1.00 H new ATOM 0 HB2 LYS A 45 11.254 1.889 -6.683 1.00 1.00 H new ATOM 0 HB3 LYS A 45 11.385 1.139 -5.105 1.00 1.00 H new ATOM 0 HG2 LYS A 45 9.352 -0.159 -5.461 1.00 1.00 H new ATOM 0 HG3 LYS A 45 8.964 0.736 -6.917 1.00 1.00 H new ATOM 0 HD2 LYS A 45 10.354 -0.536 -8.208 1.00 1.00 H new ATOM 0 HD3 LYS A 45 11.661 -0.449 -7.044 1.00 1.00 H new ATOM 0 HE2 LYS A 45 9.537 -2.092 -5.938 1.00 1.00 H new ATOM 0 HE3 LYS A 45 9.903 -2.659 -7.556 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 11.315 -3.715 -5.917 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 12.250 -2.757 -6.961 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 11.896 -2.208 -5.394 1.00 1.00 H new ATOM 685 N CYS A 46 8.619 1.861 -3.302 1.00 1.00 N ATOM 686 CA CYS A 46 8.352 1.694 -1.883 1.00 1.00 C ATOM 687 C CYS A 46 9.634 1.204 -1.208 1.00 1.00 C ATOM 688 O CYS A 46 9.827 1.411 -0.011 1.00 1.00 O ATOM 689 CB CYS A 46 7.178 0.745 -1.636 1.00 1.00 C ATOM 690 SG CYS A 46 5.915 1.372 -0.470 1.00 1.00 S ATOM 0 H CYS A 46 7.934 1.425 -3.919 1.00 1.00 H new ATOM 0 HA CYS A 46 8.057 2.650 -1.451 1.00 1.00 H new ATOM 0 HB2 CYS A 46 6.696 0.530 -2.590 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.567 -0.199 -1.255 1.00 1.00 H new ATOM 0 HG CYS A 46 4.980 0.481 -0.322 1.00 1.00 H new ATOM 695 N GLY A 47 10.477 0.563 -2.004 1.00 1.00 N ATOM 696 CA GLY A 47 11.735 0.042 -1.498 1.00 1.00 C ATOM 697 C GLY A 47 12.924 0.737 -2.164 1.00 1.00 C ATOM 698 O GLY A 47 13.691 0.104 -2.889 1.00 1.00 O ATOM 0 H GLY A 47 10.313 0.393 -2.996 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.784 0.185 -0.418 1.00 1.00 H new ATOM 0 HA3 GLY A 47 11.788 -1.031 -1.680 1.00 1.00 H new ATOM 702 N SER A 48 13.040 2.029 -1.896 1.00 1.00 N ATOM 703 CA SER A 48 14.123 2.817 -2.460 1.00 1.00 C ATOM 704 C SER A 48 15.169 3.115 -1.385 1.00 1.00 C ATOM 705 O SER A 48 14.930 2.883 -0.200 1.00 1.00 O ATOM 706 CB SER A 48 13.598 4.120 -3.066 1.00 1.00 C ATOM 707 OG SER A 48 14.656 4.999 -3.439 1.00 1.00 O ATOM 0 H SER A 48 12.401 2.550 -1.295 1.00 1.00 H new ATOM 0 HA SER A 48 14.587 2.238 -3.258 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.989 3.893 -3.941 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.949 4.619 -2.347 1.00 1.00 H new ATOM 0 HG SER A 48 14.352 5.928 -3.363 1.00 1.00 H new ATOM 713 N SER A 49 16.306 3.626 -1.835 1.00 1.00 N ATOM 714 CA SER A 49 17.389 3.958 -0.925 1.00 1.00 C ATOM 715 C SER A 49 16.913 4.988 0.101 1.00 1.00 C ATOM 716 O SER A 49 16.248 5.961 -0.253 1.00 1.00 O ATOM 717 CB SER A 49 18.604 4.491 -1.688 1.00 1.00 C ATOM 718 OG SER A 49 19.303 3.454 -2.370 1.00 1.00 O ATOM 0 H SER A 49 16.500 3.818 -2.818 1.00 1.00 H new ATOM 0 HA SER A 49 17.690 3.049 -0.404 1.00 1.00 H new ATOM 0 HB2 SER A 49 18.279 5.243 -2.407 1.00 1.00 H new ATOM 0 HB3 SER A 49 19.280 4.987 -0.992 1.00 1.00 H new ATOM 0 HG SER A 49 20.070 3.835 -2.846 1.00 1.00 H new ATOM 724 N GLY A 50 17.272 4.740 1.352 1.00 1.00 N ATOM 725 CA GLY A 50 16.889 5.634 2.432 1.00 1.00 C ATOM 726 C GLY A 50 15.369 5.670 2.601 1.00 1.00 C ATOM 727 O GLY A 50 14.795 6.726 2.860 1.00 1.00 O ATOM 0 H GLY A 50 17.824 3.933 1.642 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.354 5.307 3.362 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.259 6.638 2.226 1.00 1.00 H new ATOM 731 N CYS A 51 14.761 4.503 2.449 1.00 1.00 N ATOM 732 CA CYS A 51 13.319 4.387 2.582 1.00 1.00 C ATOM 733 C CYS A 51 13.003 3.039 3.233 1.00 1.00 C ATOM 734 O CYS A 51 13.753 2.555 4.077 1.00 1.00 O ATOM 735 CB CYS A 51 12.611 4.551 1.235 1.00 1.00 C ATOM 736 SG CYS A 51 13.292 5.996 0.343 1.00 1.00 S ATOM 0 H CYS A 51 15.241 3.629 2.235 1.00 1.00 H new ATOM 0 HA CYS A 51 12.944 5.191 3.215 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.739 3.650 0.635 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.540 4.681 1.391 1.00 1.00 H new ATOM 0 HG CYS A 51 14.573 5.843 0.183 1.00 1.00 H new ATOM 741 N HIS A 52 11.877 2.460 2.812 1.00 1.00 N ATOM 742 CA HIS A 52 11.412 1.174 3.317 1.00 1.00 C ATOM 743 C HIS A 52 11.930 0.041 2.412 1.00 1.00 C ATOM 744 O HIS A 52 11.185 -0.476 1.581 1.00 1.00 O ATOM 745 CB HIS A 52 9.883 1.219 3.460 1.00 1.00 C ATOM 746 CG HIS A 52 9.284 2.523 3.934 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.287 2.891 5.219 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.659 3.537 3.247 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.688 4.088 5.328 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.281 4.532 4.141 1.00 1.00 N ATOM 0 H HIS A 52 11.263 2.873 2.110 1.00 1.00 H new ATOM 0 HA HIS A 52 11.813 0.967 4.309 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.443 0.974 2.493 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.583 0.434 4.154 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.680 2.351 5.990 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.489 3.557 2.181 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.554 4.621 6.258 1.00 1.00 H new ATOM 758 N ASP A 53 13.193 -0.307 2.606 1.00 1.00 N ATOM 759 CA ASP A 53 13.808 -1.363 1.820 1.00 1.00 C ATOM 760 C ASP A 53 14.396 -2.417 2.761 1.00 1.00 C ATOM 761 O ASP A 53 15.590 -2.708 2.705 1.00 1.00 O ATOM 762 CB ASP A 53 14.945 -0.815 0.955 1.00 1.00 C ATOM 763 CG ASP A 53 16.182 -0.354 1.729 1.00 1.00 C ATOM 764 OD1 ASP A 53 16.078 0.149 2.858 1.00 1.00 O ATOM 765 OD2 ASP A 53 17.304 -0.530 1.118 1.00 1.00 O ATOM 0 H ASP A 53 13.808 0.124 3.296 1.00 1.00 H new ATOM 0 HA ASP A 53 13.041 -1.795 1.177 1.00 1.00 H new ATOM 0 HB2 ASP A 53 15.245 -1.586 0.245 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.566 0.024 0.372 1.00 1.00 H new ATOM 771 N ASP A 54 13.530 -2.960 3.604 1.00 1.00 N ATOM 772 CA ASP A 54 13.948 -3.975 4.556 1.00 1.00 C ATOM 773 C ASP A 54 12.755 -4.870 4.897 1.00 1.00 C ATOM 774 O ASP A 54 11.998 -4.576 5.821 1.00 1.00 O ATOM 775 CB ASP A 54 14.450 -3.340 5.854 1.00 1.00 C ATOM 776 CG ASP A 54 15.871 -3.735 6.260 1.00 1.00 C ATOM 777 OD1 ASP A 54 16.425 -4.727 5.763 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.420 -2.966 7.138 1.00 1.00 O ATOM 0 H ASP A 54 12.541 -2.716 3.648 1.00 1.00 H new ATOM 0 HA ASP A 54 14.754 -4.551 4.102 1.00 1.00 H new ATOM 0 HB2 ASP A 54 14.406 -2.256 5.751 1.00 1.00 H new ATOM 0 HB3 ASP A 54 13.769 -3.612 6.661 1.00 1.00 H new ATOM 784 N LEU A 55 12.624 -5.945 4.134 1.00 1.00 N ATOM 785 CA LEU A 55 11.536 -6.885 4.344 1.00 1.00 C ATOM 786 C LEU A 55 11.942 -7.897 5.417 1.00 1.00 C ATOM 787 O LEU A 55 11.112 -8.670 5.892 1.00 1.00 O ATOM 788 CB LEU A 55 11.119 -7.527 3.019 1.00 1.00 C ATOM 789 CG LEU A 55 10.063 -6.771 2.211 1.00 1.00 C ATOM 790 CD1 LEU A 55 8.733 -6.713 2.965 1.00 1.00 C ATOM 791 CD2 LEU A 55 10.563 -5.378 1.822 1.00 1.00 C ATOM 0 H LEU A 55 13.254 -6.186 3.369 1.00 1.00 H new ATOM 0 HA LEU A 55 10.651 -6.367 4.713 1.00 1.00 H new ATOM 0 HB2 LEU A 55 12.008 -7.643 2.399 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.741 -8.528 3.226 1.00 1.00 H new ATOM 0 HG LEU A 55 9.885 -7.319 1.286 1.00 1.00 H new ATOM 0 HD11 LEU A 55 8.000 -6.170 2.368 1.00 1.00 H new ATOM 0 HD12 LEU A 55 8.374 -7.726 3.148 1.00 1.00 H new ATOM 0 HD13 LEU A 55 8.876 -6.202 3.917 1.00 1.00 H new ATOM 0 HD21 LEU A 55 9.793 -4.862 1.248 1.00 1.00 H new ATOM 0 HD22 LEU A 55 10.788 -4.807 2.723 1.00 1.00 H new ATOM 0 HD23 LEU A 55 11.465 -5.471 1.217 1.00 1.00 H new ATOM 803 N THR A 56 13.219 -7.859 5.767 1.00 1.00 N ATOM 804 CA THR A 56 13.746 -8.764 6.775 1.00 1.00 C ATOM 805 C THR A 56 13.236 -8.370 8.163 1.00 1.00 C ATOM 806 O THR A 56 13.319 -9.157 9.105 1.00 1.00 O ATOM 807 CB THR A 56 15.272 -8.758 6.665 1.00 1.00 C ATOM 808 OG1 THR A 56 15.547 -9.683 5.617 1.00 1.00 O ATOM 809 CG2 THR A 56 15.950 -9.371 7.892 1.00 1.00 C ATOM 0 H THR A 56 13.904 -7.216 5.371 1.00 1.00 H new ATOM 0 HA THR A 56 13.398 -9.784 6.612 1.00 1.00 H new ATOM 0 HB THR A 56 15.623 -7.735 6.531 1.00 1.00 H new ATOM 0 HG1 THR A 56 16.515 -9.740 5.477 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.032 -9.342 7.762 1.00 1.00 H new ATOM 0 HG22 THR A 56 15.676 -8.803 8.781 1.00 1.00 H new ATOM 0 HG23 THR A 56 15.626 -10.405 8.008 1.00 1.00 H new ATOM 817 N ALA A 57 12.718 -7.154 8.246 1.00 1.00 N ATOM 818 CA ALA A 57 12.194 -6.647 9.502 1.00 1.00 C ATOM 819 C ALA A 57 10.723 -7.045 9.634 1.00 1.00 C ATOM 820 O ALA A 57 10.076 -7.382 8.644 1.00 1.00 O ATOM 821 CB ALA A 57 12.396 -5.131 9.566 1.00 1.00 C ATOM 0 H ALA A 57 12.650 -6.504 7.463 1.00 1.00 H new ATOM 0 HA ALA A 57 12.730 -7.083 10.345 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.003 -4.751 10.509 1.00 1.00 H new ATOM 0 HB2 ALA A 57 13.460 -4.902 9.498 1.00 1.00 H new ATOM 0 HB3 ALA A 57 11.870 -4.658 8.737 1.00 1.00 H new ATOM 827 N LYS A 58 10.237 -6.992 10.866 1.00 1.00 N ATOM 828 CA LYS A 58 8.854 -7.344 11.140 1.00 1.00 C ATOM 829 C LYS A 58 8.078 -6.082 11.523 1.00 1.00 C ATOM 830 O LYS A 58 6.848 -6.081 11.523 1.00 1.00 O ATOM 831 CB LYS A 58 8.781 -8.453 12.192 1.00 1.00 C ATOM 832 CG LYS A 58 7.636 -9.422 11.888 1.00 1.00 C ATOM 833 CD LYS A 58 6.337 -8.960 12.551 1.00 1.00 C ATOM 834 CE LYS A 58 5.649 -10.118 13.276 1.00 1.00 C ATOM 835 NZ LYS A 58 4.753 -10.848 12.352 1.00 1.00 N ATOM 0 H LYS A 58 10.776 -6.711 11.685 1.00 1.00 H new ATOM 0 HA LYS A 58 8.381 -7.752 10.247 1.00 1.00 H new ATOM 0 HB2 LYS A 58 9.725 -8.997 12.218 1.00 1.00 H new ATOM 0 HB3 LYS A 58 8.638 -8.014 13.179 1.00 1.00 H new ATOM 0 HG2 LYS A 58 7.493 -9.494 10.810 1.00 1.00 H new ATOM 0 HG3 LYS A 58 7.895 -10.420 12.243 1.00 1.00 H new ATOM 0 HD2 LYS A 58 6.551 -8.159 13.259 1.00 1.00 H new ATOM 0 HD3 LYS A 58 5.666 -8.549 11.797 1.00 1.00 H new ATOM 0 HE2 LYS A 58 6.398 -10.799 13.679 1.00 1.00 H new ATOM 0 HE3 LYS A 58 5.077 -9.737 14.122 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 4.294 -11.631 12.860 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 4.027 -10.199 11.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 5.308 -11.228 11.559 1.00 1.00 H new ATOM 848 N LYS A 59 8.829 -5.037 11.841 1.00 1.00 N ATOM 849 CA LYS A 59 8.228 -3.772 12.225 1.00 1.00 C ATOM 850 C LYS A 59 9.326 -2.719 12.391 1.00 1.00 C ATOM 851 O LYS A 59 10.387 -3.007 12.942 1.00 1.00 O ATOM 852 CB LYS A 59 7.353 -3.950 13.468 1.00 1.00 C ATOM 853 CG LYS A 59 8.205 -3.969 14.739 1.00 1.00 C ATOM 854 CD LYS A 59 7.415 -4.539 15.919 1.00 1.00 C ATOM 855 CE LYS A 59 7.433 -6.069 15.903 1.00 1.00 C ATOM 856 NZ LYS A 59 8.531 -6.583 16.752 1.00 1.00 N ATOM 0 H LYS A 59 9.849 -5.041 11.840 1.00 1.00 H new ATOM 0 HA LYS A 59 7.560 -3.415 11.441 1.00 1.00 H new ATOM 0 HB2 LYS A 59 6.626 -3.140 13.525 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.789 -4.879 13.390 1.00 1.00 H new ATOM 0 HG2 LYS A 59 9.100 -4.568 14.572 1.00 1.00 H new ATOM 0 HG3 LYS A 59 8.537 -2.958 14.974 1.00 1.00 H new ATOM 0 HD2 LYS A 59 7.840 -4.177 16.855 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.385 -4.183 15.878 1.00 1.00 H new ATOM 0 HE2 LYS A 59 6.478 -6.454 16.261 1.00 1.00 H new ATOM 0 HE3 LYS A 59 7.558 -6.427 14.881 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 8.529 -7.623 16.730 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 9.441 -6.231 16.393 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 8.395 -6.257 17.730 1.00 1.00 H new ATOM 869 N GLY A 60 9.032 -1.523 11.904 1.00 1.00 N ATOM 870 CA GLY A 60 9.981 -0.426 11.992 1.00 1.00 C ATOM 871 C GLY A 60 9.873 0.492 10.772 1.00 1.00 C ATOM 872 O GLY A 60 9.399 0.074 9.717 1.00 1.00 O ATOM 0 H GLY A 60 8.150 -1.289 11.447 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.796 0.147 12.900 1.00 1.00 H new ATOM 0 HA3 GLY A 60 10.994 -0.822 12.065 1.00 1.00 H new ATOM 876 N GLU A 61 10.321 1.725 10.958 1.00 1.00 N ATOM 877 CA GLU A 61 10.280 2.705 9.886 1.00 1.00 C ATOM 878 C GLU A 61 11.033 2.183 8.660 1.00 1.00 C ATOM 879 O GLU A 61 10.844 2.682 7.552 1.00 1.00 O ATOM 880 CB GLU A 61 10.851 4.047 10.349 1.00 1.00 C ATOM 881 CG GLU A 61 12.062 3.843 11.260 1.00 1.00 C ATOM 882 CD GLU A 61 11.682 4.038 12.729 1.00 1.00 C ATOM 883 OE1 GLU A 61 10.649 4.656 13.026 1.00 1.00 O ATOM 884 OE2 GLU A 61 12.503 3.519 13.578 1.00 1.00 O ATOM 0 H GLU A 61 10.714 2.068 11.835 1.00 1.00 H new ATOM 0 HA GLU A 61 9.239 2.866 9.607 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.140 4.642 9.482 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.083 4.609 10.880 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.466 2.841 11.115 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.849 4.546 10.988 1.00 1.00 H new ATOM 892 N LYS A 62 11.870 1.184 8.901 1.00 1.00 N ATOM 893 CA LYS A 62 12.652 0.589 7.831 1.00 1.00 C ATOM 894 C LYS A 62 12.058 -0.774 7.468 1.00 1.00 C ATOM 895 O LYS A 62 12.789 -1.702 7.127 1.00 1.00 O ATOM 896 CB LYS A 62 14.132 0.532 8.215 1.00 1.00 C ATOM 897 CG LYS A 62 14.568 1.825 8.909 1.00 1.00 C ATOM 898 CD LYS A 62 15.770 2.449 8.198 1.00 1.00 C ATOM 899 CE LYS A 62 16.744 3.063 9.205 1.00 1.00 C ATOM 900 NZ LYS A 62 17.386 2.005 10.017 1.00 1.00 N ATOM 0 H LYS A 62 12.023 0.772 9.821 1.00 1.00 H new ATOM 0 HA LYS A 62 12.603 1.208 6.935 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.308 -0.317 8.876 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.737 0.372 7.323 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.740 2.533 8.920 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.823 1.616 9.948 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.282 1.689 7.608 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.428 3.216 7.503 1.00 1.00 H new ATOM 0 HE2 LYS A 62 17.506 3.638 8.679 1.00 1.00 H new ATOM 0 HE3 LYS A 62 16.213 3.758 9.856 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 18.310 2.341 10.357 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 16.780 1.776 10.830 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 17.520 1.154 9.435 1.00 1.00 H new ATOM 913 N SER A 63 10.738 -0.850 7.555 1.00 1.00 N ATOM 914 CA SER A 63 10.038 -2.083 7.240 1.00 1.00 C ATOM 915 C SER A 63 8.865 -1.794 6.301 1.00 1.00 C ATOM 916 O SER A 63 8.104 -0.854 6.523 1.00 1.00 O ATOM 917 CB SER A 63 9.542 -2.775 8.512 1.00 1.00 C ATOM 918 OG SER A 63 9.413 -4.183 8.338 1.00 1.00 O ATOM 0 H SER A 63 10.135 -0.078 7.839 1.00 1.00 H new ATOM 0 HA SER A 63 10.737 -2.755 6.742 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.235 -2.573 9.329 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.578 -2.356 8.801 1.00 1.00 H new ATOM 0 HG SER A 63 9.096 -4.588 9.172 1.00 1.00 H new ATOM 924 N LEU A 64 8.755 -2.621 5.271 1.00 1.00 N ATOM 925 CA LEU A 64 7.688 -2.466 4.298 1.00 1.00 C ATOM 926 C LEU A 64 6.525 -3.387 4.671 1.00 1.00 C ATOM 927 O LEU A 64 5.823 -3.930 3.822 1.00 1.00 O ATOM 928 CB LEU A 64 8.219 -2.690 2.880 1.00 1.00 C ATOM 929 CG LEU A 64 7.235 -2.409 1.743 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.810 -0.939 1.737 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.815 -2.844 0.396 1.00 1.00 C ATOM 0 H LEU A 64 9.388 -3.400 5.090 1.00 1.00 H new ATOM 0 HA LEU A 64 7.305 -1.446 4.313 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.097 -2.059 2.738 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.553 -3.724 2.798 1.00 1.00 H new ATOM 0 HG LEU A 64 6.337 -3.003 1.913 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.111 -0.766 0.919 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.328 -0.696 2.684 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.688 -0.307 1.603 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.095 -2.633 -0.395 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.737 -2.296 0.203 1.00 1.00 H new ATOM 0 HD23 LEU A 64 8.026 -3.913 0.419 1.00 1.00 H new ATOM 943 N TYR A 65 6.334 -3.551 5.982 1.00 1.00 N ATOM 944 CA TYR A 65 5.275 -4.394 6.500 1.00 1.00 C ATOM 945 C TYR A 65 4.435 -3.612 7.500 1.00 1.00 C ATOM 946 O TYR A 65 3.230 -3.828 7.606 1.00 1.00 O ATOM 947 CB TYR A 65 5.885 -5.630 7.155 1.00 1.00 C ATOM 948 CG TYR A 65 5.018 -6.228 8.237 1.00 1.00 C ATOM 949 CD1 TYR A 65 4.060 -7.196 7.912 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.173 -5.814 9.566 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.256 -7.750 8.916 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.369 -6.368 10.569 1.00 1.00 C ATOM 953 CZ TYR A 65 3.411 -7.336 10.245 1.00 1.00 C ATOM 954 OH TYR A 65 2.628 -7.875 11.222 1.00 1.00 O ATOM 0 H TYR A 65 6.906 -3.106 6.700 1.00 1.00 H new ATOM 0 HA TYR A 65 4.627 -4.714 5.684 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.069 -6.384 6.389 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.853 -5.366 7.581 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.941 -7.515 6.887 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.912 -5.068 9.817 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.517 -8.496 8.666 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.488 -6.048 11.594 1.00 1.00 H new ATOM 0 HH TYR A 65 2.865 -7.479 12.087 1.00 1.00 H new ATOM 964 N TYR A 66 5.076 -2.701 8.235 1.00 1.00 N ATOM 965 CA TYR A 66 4.386 -1.894 9.222 1.00 1.00 C ATOM 966 C TYR A 66 3.823 -0.643 8.564 1.00 1.00 C ATOM 967 O TYR A 66 3.157 0.137 9.243 1.00 1.00 O ATOM 968 CB TYR A 66 5.355 -1.527 10.343 1.00 1.00 C ATOM 969 CG TYR A 66 4.741 -0.645 11.404 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.987 -1.215 12.437 1.00 1.00 C ATOM 971 CD2 TYR A 66 4.926 0.742 11.356 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.419 -0.399 13.422 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.357 1.558 12.341 1.00 1.00 C ATOM 974 CZ TYR A 66 3.604 0.988 13.374 1.00 1.00 C ATOM 975 OH TYR A 66 3.050 1.784 14.333 1.00 1.00 O ATOM 0 H TYR A 66 6.075 -2.509 8.159 1.00 1.00 H new ATOM 0 HA TYR A 66 3.557 -2.460 9.646 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.722 -2.441 10.809 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.219 -1.019 9.914 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.844 -2.285 12.474 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.507 1.182 10.559 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.838 -0.839 14.219 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.499 2.628 12.304 1.00 1.00 H new ATOM 0 HH TYR A 66 3.276 2.720 14.152 1.00 1.00 H new ATOM 985 N VAL A 67 4.093 -0.477 7.277 1.00 1.00 N ATOM 986 CA VAL A 67 3.602 0.684 6.554 1.00 1.00 C ATOM 987 C VAL A 67 2.700 0.222 5.408 1.00 1.00 C ATOM 988 O VAL A 67 2.247 1.034 4.603 1.00 1.00 O ATOM 989 CB VAL A 67 4.778 1.541 6.080 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.707 1.888 7.245 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.545 0.845 4.955 1.00 1.00 C ATOM 0 H VAL A 67 4.645 -1.127 6.717 1.00 1.00 H new ATOM 0 HA VAL A 67 3.000 1.314 7.208 1.00 1.00 H new ATOM 0 HB VAL A 67 4.376 2.473 5.683 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.534 2.497 6.882 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.151 2.444 8.000 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.098 0.970 7.684 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.375 1.475 4.637 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.931 -0.109 5.314 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.877 0.672 4.112 1.00 1.00 H new ATOM 1001 N VAL A 68 2.464 -1.082 5.372 1.00 1.00 N ATOM 1002 CA VAL A 68 1.624 -1.662 4.338 1.00 1.00 C ATOM 1003 C VAL A 68 0.273 -2.049 4.943 1.00 1.00 C ATOM 1004 O VAL A 68 -0.776 -1.793 4.356 1.00 1.00 O ATOM 1005 CB VAL A 68 2.343 -2.841 3.680 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.340 -3.855 3.125 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.298 -2.359 2.585 1.00 1.00 C ATOM 0 H VAL A 68 2.840 -1.753 6.042 1.00 1.00 H new ATOM 0 HA VAL A 68 1.432 -0.934 3.549 1.00 1.00 H new ATOM 0 HB VAL A 68 2.936 -3.341 4.446 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.878 -4.683 2.663 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.719 -4.234 3.937 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.708 -3.371 2.380 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.796 -3.217 2.133 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.735 -1.823 1.821 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.044 -1.694 3.020 1.00 1.00 H new ATOM 1017 N HIS A 69 0.339 -2.666 6.123 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.843 -3.109 6.852 1.00 1.00 C ATOM 1019 C HIS A 69 -1.225 -2.060 7.913 1.00 1.00 C ATOM 1020 O HIS A 69 -2.111 -1.239 7.680 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.581 -4.513 7.418 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.106 -5.562 6.439 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.186 -5.747 6.154 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.799 -6.480 5.687 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.295 -6.741 5.259 1.00 1.00 C ATOM 1026 NE2 HIS A 69 0.099 -7.229 4.936 1.00 1.00 N ATOM 0 H HIS A 69 1.217 -2.872 6.599 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.708 -3.193 6.195 1.00 1.00 H new ATOM 0 HB2 HIS A 69 0.162 -4.427 8.211 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.501 -4.871 7.880 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.963 -5.219 6.552 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -1.872 -6.600 5.681 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.230 -7.098 4.854 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.539 -2.124 9.045 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.798 -1.192 10.130 1.00 1.00 C ATOM 1036 C ALA A 70 -2.079 -0.411 9.831 1.00 1.00 C ATOM 1037 O ALA A 70 -2.035 0.641 9.195 1.00 1.00 O ATOM 1038 CB ALA A 70 0.414 -0.276 10.315 1.00 1.00 C ATOM 0 H ALA A 70 0.195 -2.806 9.234 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.950 -1.726 11.068 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.221 0.423 11.128 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.291 -0.877 10.554 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.594 0.279 9.394 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.190 -0.956 10.304 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.482 -0.323 10.096 1.00 1.00 C ATOM 1046 C ARG A 71 -4.794 0.637 11.245 1.00 1.00 C ATOM 1047 O ARG A 71 -5.958 0.922 11.522 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.596 -1.367 9.995 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.972 -1.902 11.378 1.00 1.00 C ATOM 1050 CD ARG A 71 -5.230 -3.205 11.683 1.00 1.00 C ATOM 1051 NE ARG A 71 -4.782 -3.214 13.093 1.00 1.00 N ATOM 1052 CZ ARG A 71 -3.714 -3.906 13.543 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -2.973 -4.651 12.695 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -3.403 -3.842 14.824 1.00 1.00 N ATOM 0 H ARG A 71 -3.223 -1.829 10.831 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.433 0.231 9.159 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.472 -0.924 9.522 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.271 -2.190 9.358 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.733 -1.157 12.137 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -7.048 -2.072 11.426 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -5.883 -4.057 11.495 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -4.371 -3.308 11.019 1.00 1.00 H new ATOM 0 HE ARG A 71 -5.313 -2.663 13.767 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.219 -4.694 11.706 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -2.168 -5.171 13.043 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -3.967 -3.276 15.458 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -2.599 -4.359 15.180 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.733 1.110 11.884 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.880 2.032 12.997 1.00 1.00 C ATOM 1066 C GLY A 72 -3.538 3.462 12.573 1.00 1.00 C ATOM 1067 O GLY A 72 -3.453 3.756 11.381 1.00 1.00 O ATOM 0 H GLY A 72 -2.769 0.872 11.652 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.903 1.995 13.372 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.229 1.726 13.816 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.351 4.313 13.571 1.00 1.00 N ATOM 1072 CA GLU A 73 -3.020 5.704 13.316 1.00 1.00 C ATOM 1073 C GLU A 73 -1.523 5.851 13.034 1.00 1.00 C ATOM 1074 O GLU A 73 -0.715 5.899 13.960 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.447 6.593 14.487 1.00 1.00 C ATOM 1076 CG GLU A 73 -2.737 6.177 15.777 1.00 1.00 C ATOM 1077 CD GLU A 73 -3.746 5.931 16.902 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -4.924 5.658 16.630 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -3.266 6.032 18.095 1.00 1.00 O ATOM 0 H GLU A 73 -3.423 4.066 14.558 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.570 6.032 12.434 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -3.217 7.634 14.261 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -4.526 6.527 14.624 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -2.155 5.272 15.601 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -2.034 6.955 16.077 1.00 1.00 H new ATOM 1087 N LEU A 74 -1.199 5.918 11.751 1.00 1.00 N ATOM 1088 CA LEU A 74 0.186 6.058 11.335 1.00 1.00 C ATOM 1089 C LEU A 74 0.430 7.493 10.864 1.00 1.00 C ATOM 1090 O LEU A 74 -0.509 8.196 10.493 1.00 1.00 O ATOM 1091 CB LEU A 74 0.541 4.999 10.290 1.00 1.00 C ATOM 1092 CG LEU A 74 0.361 3.542 10.723 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.575 2.590 9.545 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.272 3.205 11.906 1.00 1.00 C ATOM 0 H LEU A 74 -1.872 5.878 10.986 1.00 1.00 H new ATOM 0 HA LEU A 74 0.856 5.880 12.176 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -0.070 5.172 9.404 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.580 5.143 9.994 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.667 3.410 11.061 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.441 1.561 9.880 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.148 2.813 8.761 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.585 2.716 9.154 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.124 2.164 12.194 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.312 3.358 11.619 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.029 3.852 12.749 1.00 1.00 H new ATOM 1106 N LYS A 75 1.695 7.885 10.894 1.00 1.00 N ATOM 1107 CA LYS A 75 2.074 9.224 10.474 1.00 1.00 C ATOM 1108 C LYS A 75 1.314 9.587 9.196 1.00 1.00 C ATOM 1109 O LYS A 75 0.924 10.739 9.008 1.00 1.00 O ATOM 1110 CB LYS A 75 3.594 9.332 10.337 1.00 1.00 C ATOM 1111 CG LYS A 75 4.199 10.080 11.528 1.00 1.00 C ATOM 1112 CD LYS A 75 5.649 9.652 11.764 1.00 1.00 C ATOM 1113 CE LYS A 75 6.423 10.733 12.520 1.00 1.00 C ATOM 1114 NZ LYS A 75 7.875 10.607 12.261 1.00 1.00 N ATOM 0 H LYS A 75 2.471 7.299 11.203 1.00 1.00 H new ATOM 0 HA LYS A 75 1.792 9.955 11.232 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.029 8.335 10.270 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.844 9.851 9.412 1.00 1.00 H new ATOM 0 HG2 LYS A 75 4.158 11.154 11.347 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.608 9.885 12.423 1.00 1.00 H new ATOM 0 HD2 LYS A 75 5.670 8.721 12.331 1.00 1.00 H new ATOM 0 HD3 LYS A 75 6.134 9.454 10.808 1.00 1.00 H new ATOM 0 HE2 LYS A 75 6.077 11.720 12.212 1.00 1.00 H new ATOM 0 HE3 LYS A 75 6.229 10.647 13.589 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 8.386 11.348 12.782 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 8.204 9.672 12.577 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 8.056 10.712 11.242 1.00 1.00 H new ATOM 1127 N HIS A 76 1.126 8.584 8.352 1.00 1.00 N ATOM 1128 CA HIS A 76 0.420 8.783 7.098 1.00 1.00 C ATOM 1129 C HIS A 76 -0.852 7.933 7.084 1.00 1.00 C ATOM 1130 O HIS A 76 -1.519 7.791 8.108 1.00 1.00 O ATOM 1131 CB HIS A 76 1.337 8.498 5.907 1.00 1.00 C ATOM 1132 CG HIS A 76 2.690 9.163 6.000 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.878 8.462 5.896 1.00 1.00 N ATOM 1134 CD2 HIS A 76 3.029 10.470 6.187 1.00 1.00 C ATOM 1135 CE1 HIS A 76 4.882 9.318 6.017 1.00 1.00 C ATOM 1136 NE2 HIS A 76 4.353 10.563 6.198 1.00 1.00 N ATOM 0 H HIS A 76 1.450 7.630 8.512 1.00 1.00 H new ATOM 0 HA HIS A 76 0.118 9.827 7.008 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.478 7.421 5.820 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.843 8.829 4.994 1.00 1.00 H new ATOM 0 HD2 HIS A 76 2.337 11.291 6.306 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.933 9.074 5.979 1.00 1.00 H new ATOM 0 HE2 HIS A 76 4.887 11.423 6.321 1.00 1.00 H new ATOM 1144 N THR A 77 -1.149 7.390 5.913 1.00 1.00 N ATOM 1145 CA THR A 77 -2.329 6.557 5.752 1.00 1.00 C ATOM 1146 C THR A 77 -1.958 5.227 5.095 1.00 1.00 C ATOM 1147 O THR A 77 -1.726 5.170 3.888 1.00 1.00 O ATOM 1148 CB THR A 77 -3.368 7.357 4.962 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.434 8.607 5.643 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.779 6.781 5.101 1.00 1.00 C ATOM 0 H THR A 77 -0.593 7.510 5.066 1.00 1.00 H new ATOM 0 HA THR A 77 -2.763 6.296 6.717 1.00 1.00 H new ATOM 0 HB THR A 77 -3.087 7.378 3.909 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.084 9.189 5.196 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.477 7.385 4.522 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.792 5.756 4.730 1.00 1.00 H new ATOM 0 HG23 THR A 77 -5.074 6.791 6.150 1.00 1.00 H new ATOM 1158 N SER A 78 -1.913 4.189 5.917 1.00 1.00 N ATOM 1159 CA SER A 78 -1.574 2.863 5.431 1.00 1.00 C ATOM 1160 C SER A 78 -2.680 2.344 4.509 1.00 1.00 C ATOM 1161 O SER A 78 -3.768 2.916 4.458 1.00 1.00 O ATOM 1162 CB SER A 78 -1.350 1.891 6.591 1.00 1.00 C ATOM 1163 OG SER A 78 -1.521 2.522 7.857 1.00 1.00 O ATOM 0 H SER A 78 -2.106 4.240 6.917 1.00 1.00 H new ATOM 0 HA SER A 78 -0.644 2.934 4.867 1.00 1.00 H new ATOM 0 HB2 SER A 78 -2.046 1.057 6.505 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.345 1.475 6.526 1.00 1.00 H new ATOM 0 HG SER A 78 -2.014 1.924 8.457 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.364 1.268 3.805 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.317 0.666 2.889 1.00 1.00 C ATOM 1171 C CYS A 79 -4.527 0.193 3.697 1.00 1.00 C ATOM 1172 O CYS A 79 -5.629 0.715 3.536 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.688 -0.473 2.084 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.043 -0.094 1.377 1.00 1.00 S ATOM 0 H CYS A 79 -1.460 0.797 3.850 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.637 1.406 2.156 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.599 -1.348 2.728 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.364 -0.742 1.272 1.00 1.00 H new ATOM 0 HG CYS A 79 -0.261 0.354 2.314 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.281 -0.792 4.549 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.336 -1.342 5.382 1.00 1.00 C ATOM 1181 C LEU A 80 -6.082 -0.199 6.074 1.00 1.00 C ATOM 1182 O LEU A 80 -7.227 -0.362 6.491 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.768 -2.381 6.351 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.812 -3.835 5.877 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.130 -4.501 6.275 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.553 -3.929 4.372 1.00 1.00 C ATOM 0 H LEU A 80 -3.366 -1.223 4.680 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.064 -1.875 4.771 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.731 -2.121 6.565 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.315 -2.309 7.291 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.012 -4.382 6.376 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.136 -5.534 5.926 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.233 -4.484 7.360 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.962 -3.961 5.823 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.590 -4.973 4.061 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.315 -3.364 3.836 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.569 -3.517 4.146 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.401 0.933 6.175 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.984 2.103 6.810 1.00 1.00 C ATOM 1200 C ALA A 81 -7.179 2.583 5.984 1.00 1.00 C ATOM 1201 O ALA A 81 -8.325 2.462 6.415 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.913 3.185 6.969 1.00 1.00 C ATOM 0 H ALA A 81 -4.451 1.065 5.828 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.349 1.857 7.807 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.350 4.063 7.445 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.100 2.804 7.587 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.525 3.460 5.988 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.871 3.118 4.812 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.906 3.617 3.922 1.00 1.00 C ATOM 1210 C CYS A 82 -8.960 2.521 3.748 1.00 1.00 C ATOM 1211 O CYS A 82 -10.127 2.710 4.085 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.328 4.070 2.579 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.668 4.683 1.495 1.00 1.00 S ATOM 0 H CYS A 82 -5.920 3.217 4.458 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.370 4.501 4.360 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.590 4.856 2.738 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.811 3.240 2.098 1.00 1.00 H new ATOM 0 HG CYS A 82 -8.166 5.067 0.359 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.508 1.384 3.217 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.364 0.228 2.976 1.00 1.00 C ATOM 1220 C HIS A 83 -10.348 0.056 4.148 1.00 1.00 C ATOM 1221 O HIS A 83 -11.478 -0.387 3.946 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.479 -0.998 2.709 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.917 -1.139 1.313 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.613 -2.325 0.776 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.613 -0.198 0.359 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.138 -2.130 -0.464 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.117 -0.835 -0.772 1.00 1.00 N ATOM 0 H HIS A 83 -7.536 1.241 2.942 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.982 0.367 2.089 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.645 -0.975 3.411 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.060 -1.892 2.934 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.724 -3.230 1.234 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.740 0.869 0.471 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.815 -2.920 -1.125 1.00 1.00 H new ATOM 1235 N SER A 84 -9.884 0.415 5.335 1.00 1.00 N ATOM 1236 CA SER A 84 -10.710 0.305 6.526 1.00 1.00 C ATOM 1237 C SER A 84 -11.990 1.124 6.353 1.00 1.00 C ATOM 1238 O SER A 84 -13.084 0.642 6.643 1.00 1.00 O ATOM 1239 CB SER A 84 -9.947 0.768 7.769 1.00 1.00 C ATOM 1240 OG SER A 84 -10.330 0.039 8.932 1.00 1.00 O ATOM 0 H SER A 84 -8.947 0.782 5.498 1.00 1.00 H new ATOM 0 HA SER A 84 -10.974 -0.744 6.664 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.876 0.649 7.603 1.00 1.00 H new ATOM 0 HB3 SER A 84 -10.128 1.831 7.931 1.00 1.00 H new ATOM 0 HG SER A 84 -9.820 0.363 9.704 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.811 2.349 5.880 1.00 1.00 N ATOM 1247 CA LYS A 85 -12.939 3.240 5.665 1.00 1.00 C ATOM 1248 C LYS A 85 -13.786 2.712 4.506 1.00 1.00 C ATOM 1249 O LYS A 85 -15.012 2.809 4.534 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.455 4.678 5.467 1.00 1.00 C ATOM 1251 CG LYS A 85 -13.609 5.671 5.623 1.00 1.00 C ATOM 1252 CD LYS A 85 -13.304 6.700 6.714 1.00 1.00 C ATOM 1253 CE LYS A 85 -12.934 8.053 6.103 1.00 1.00 C ATOM 1254 NZ LYS A 85 -12.552 9.013 7.163 1.00 1.00 N ATOM 0 H LYS A 85 -10.902 2.745 5.640 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.581 3.262 6.546 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.674 4.906 6.192 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -12.011 4.783 4.477 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -13.785 6.181 4.676 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -14.525 5.134 5.871 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -14.172 6.815 7.363 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -12.485 6.342 7.338 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -12.109 7.929 5.402 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -13.778 8.445 5.535 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -12.304 9.926 6.731 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -13.350 9.144 7.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -11.733 8.644 7.687 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.100 2.164 3.514 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.774 1.621 2.348 1.00 1.00 C ATOM 1269 C VAL A 86 -14.738 0.517 2.789 1.00 1.00 C ATOM 1270 O VAL A 86 -15.860 0.433 2.293 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.744 1.140 1.324 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.427 0.464 0.133 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.851 2.293 0.862 1.00 1.00 C ATOM 0 H VAL A 86 -12.083 2.085 3.494 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.366 2.393 1.856 1.00 1.00 H new ATOM 0 HB VAL A 86 -12.110 0.399 1.810 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.672 0.132 -0.579 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -14.000 -0.395 0.482 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -14.097 1.173 -0.353 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.128 1.924 0.135 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.465 3.067 0.402 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.323 2.710 1.719 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.264 -0.301 3.717 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.070 -1.396 4.231 1.00 1.00 C ATOM 1285 C VAL A 87 -16.399 -0.845 4.750 1.00 1.00 C ATOM 1286 O VAL A 87 -17.396 -1.564 4.802 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.286 -2.168 5.295 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.212 -3.077 6.106 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.147 -2.969 4.663 1.00 1.00 C ATOM 0 H VAL A 87 -13.333 -0.228 4.126 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.301 -2.106 3.437 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.846 -1.443 5.979 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.630 -3.614 6.855 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -15.972 -2.473 6.602 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.694 -3.792 5.440 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.606 -3.508 5.441 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.557 -3.681 3.946 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.465 -2.290 4.151 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.372 0.427 5.122 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.562 1.082 5.635 1.00 1.00 C ATOM 1301 C ALA A 88 -18.387 1.622 4.464 1.00 1.00 C ATOM 1302 O ALA A 88 -19.313 2.406 4.663 1.00 1.00 O ATOM 1303 CB ALA A 88 -17.156 2.182 6.618 1.00 1.00 C ATOM 0 H ALA A 88 -15.544 1.021 5.078 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.186 0.373 6.179 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -18.049 2.674 7.003 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.598 1.743 7.445 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.531 2.914 6.107 1.00 1.00 H new ATOM 1437 N ASP A 96 -12.326 -8.477 0.029 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.740 -8.137 -1.257 1.00 1.00 C ATOM 1439 C ASP A 96 -10.632 -7.102 -1.050 1.00 1.00 C ATOM 1440 O ASP A 96 -9.665 -7.061 -1.809 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.785 -7.530 -2.195 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.539 -7.779 -3.684 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -12.792 -8.879 -4.199 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -12.059 -6.773 -4.334 1.00 1.00 O ATOM 0 HA ASP A 96 -11.345 -9.051 -1.700 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.764 -7.931 -1.932 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.824 -6.454 -2.023 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.811 -6.290 -0.018 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.838 -5.257 0.299 1.00 1.00 C ATOM 1452 C LEU A 97 -9.053 -5.668 1.546 1.00 1.00 C ATOM 1453 O LEU A 97 -7.888 -5.303 1.698 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.525 -3.896 0.424 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.544 -3.555 -0.665 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.930 -2.076 -0.612 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -11.027 -3.963 -2.046 1.00 1.00 C ATOM 0 H LEU A 97 -11.615 -6.326 0.609 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.116 -5.150 -0.511 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.028 -3.853 1.390 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.757 -3.123 0.429 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.450 -4.131 -0.477 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.655 -1.861 -1.397 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.369 -1.849 0.360 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -11.041 -1.463 -0.761 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.770 -3.710 -2.802 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -10.098 -3.433 -2.258 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.844 -5.037 -2.063 1.00 1.00 H new ATOM 1469 N THR A 98 -9.722 -6.420 2.407 1.00 1.00 N ATOM 1470 CA THR A 98 -9.102 -6.884 3.636 1.00 1.00 C ATOM 1471 C THR A 98 -8.856 -8.393 3.573 1.00 1.00 C ATOM 1472 O THR A 98 -8.526 -8.928 2.516 1.00 1.00 O ATOM 1473 CB THR A 98 -9.994 -6.461 4.805 1.00 1.00 C ATOM 1474 OG1 THR A 98 -11.182 -7.229 4.630 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.467 -5.011 4.686 1.00 1.00 C ATOM 0 H THR A 98 -10.688 -6.720 2.278 1.00 1.00 H new ATOM 0 HA THR A 98 -8.120 -6.433 3.778 1.00 1.00 H new ATOM 0 HB THR A 98 -9.451 -6.590 5.741 1.00 1.00 H new ATOM 0 HG1 THR A 98 -11.816 -7.018 5.347 1.00 1.00 H new ATOM 0 HG21 THR A 98 -11.096 -4.762 5.541 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.603 -4.347 4.666 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.039 -4.889 3.766 1.00 1.00 H new ATOM 1483 N GLY A 99 -9.026 -9.036 4.719 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.827 -10.472 4.808 1.00 1.00 C ATOM 1485 C GLY A 99 -7.370 -10.842 4.527 1.00 1.00 C ATOM 1486 O GLY A 99 -6.779 -10.362 3.560 1.00 1.00 O ATOM 0 H GLY A 99 -9.299 -8.588 5.594 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.109 -10.821 5.801 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.478 -10.978 4.095 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.831 -11.693 5.388 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.454 -12.132 5.244 1.00 1.00 C ATOM 1492 C CYS A 100 -5.387 -13.130 4.087 1.00 1.00 C ATOM 1493 O CYS A 100 -4.364 -13.235 3.411 1.00 1.00 O ATOM 1494 CB CYS A 100 -4.912 -12.729 6.544 1.00 1.00 C ATOM 1495 SG CYS A 100 -4.931 -11.592 7.978 1.00 1.00 S ATOM 0 H CYS A 100 -7.324 -12.090 6.188 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.818 -11.275 5.021 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -5.497 -13.614 6.792 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -3.888 -13.061 6.375 1.00 1.00 H new ATOM 0 HG CYS A 100 -4.453 -12.202 9.022 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.490 -13.839 3.893 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.569 -14.825 2.829 1.00 1.00 C ATOM 1502 C ALA A 101 -7.880 -14.637 2.062 1.00 1.00 C ATOM 1503 O ALA A 101 -8.777 -13.933 2.523 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.437 -16.229 3.422 1.00 1.00 C ATOM 0 H ALA A 101 -7.336 -13.750 4.455 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.751 -14.692 2.121 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.496 -16.968 2.623 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.477 -16.320 3.931 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.243 -16.400 4.135 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.949 -15.280 0.906 1.00 1.00 N ATOM 1511 CA LYS A 102 -9.135 -15.193 0.071 1.00 1.00 C ATOM 1512 C LYS A 102 -9.428 -13.724 -0.240 1.00 1.00 C ATOM 1513 O LYS A 102 -10.575 -13.285 -0.159 1.00 1.00 O ATOM 1514 CB LYS A 102 -10.306 -15.928 0.725 1.00 1.00 C ATOM 1515 CG LYS A 102 -10.089 -17.442 0.695 1.00 1.00 C ATOM 1516 CD LYS A 102 -9.695 -17.968 2.077 1.00 1.00 C ATOM 1517 CE LYS A 102 -8.486 -18.900 1.985 1.00 1.00 C ATOM 1518 NZ LYS A 102 -8.059 -19.330 3.335 1.00 1.00 N ATOM 0 H LYS A 102 -7.203 -15.864 0.528 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.967 -15.694 -0.882 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -10.419 -15.594 1.756 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -11.232 -15.679 0.206 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -11.001 -17.937 0.360 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -9.310 -17.687 -0.027 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -9.464 -17.131 2.736 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -10.536 -18.501 2.521 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -8.737 -19.772 1.382 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -7.664 -18.390 1.482 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -7.217 -19.935 3.256 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -7.832 -18.494 3.910 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -8.828 -19.864 3.788 1.00 1.00 H new ATOM 1531 N SER A 103 -8.372 -13.003 -0.588 1.00 1.00 N ATOM 1532 CA SER A 103 -8.501 -11.593 -0.911 1.00 1.00 C ATOM 1533 C SER A 103 -7.809 -11.295 -2.243 1.00 1.00 C ATOM 1534 O SER A 103 -7.258 -12.195 -2.874 1.00 1.00 O ATOM 1535 CB SER A 103 -7.916 -10.717 0.199 1.00 1.00 C ATOM 1536 OG SER A 103 -6.495 -10.803 0.253 1.00 1.00 O ATOM 0 H SER A 103 -7.423 -13.370 -0.653 1.00 1.00 H new ATOM 0 HA SER A 103 -9.562 -11.359 -1.000 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.211 -9.680 0.036 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.334 -11.020 1.159 1.00 1.00 H new ATOM 0 HG SER A 103 -6.160 -10.229 0.973 1.00 1.00 H new ATOM 1542 N LYS A 104 -7.860 -10.029 -2.629 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.245 -9.601 -3.874 1.00 1.00 C ATOM 1544 C LYS A 104 -5.787 -9.219 -3.612 1.00 1.00 C ATOM 1545 O LYS A 104 -5.089 -8.762 -4.517 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.066 -8.485 -4.523 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.565 -8.779 -4.424 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.189 -8.915 -5.814 1.00 1.00 C ATOM 1549 CE LYS A 104 -10.276 -10.384 -6.234 1.00 1.00 C ATOM 1550 NZ LYS A 104 -9.196 -10.714 -7.191 1.00 1.00 N ATOM 0 H LYS A 104 -8.318 -9.286 -2.102 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.237 -10.418 -4.595 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -7.845 -7.535 -4.036 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -7.781 -8.380 -5.570 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -9.723 -9.698 -3.859 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -10.061 -7.978 -3.875 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -11.185 -8.473 -5.814 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -9.594 -8.360 -6.540 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -10.200 -11.025 -5.355 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -11.246 -10.581 -6.689 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -9.269 -11.714 -7.466 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -9.286 -10.115 -8.036 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -8.272 -10.545 -6.744 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.370 -9.419 -2.371 1.00 1.00 N ATOM 1564 CA CYS A 105 -4.007 -9.101 -1.979 1.00 1.00 C ATOM 1565 C CYS A 105 -3.256 -10.413 -1.745 1.00 1.00 C ATOM 1566 O CYS A 105 -2.158 -10.611 -2.260 1.00 1.00 O ATOM 1567 CB CYS A 105 -3.970 -8.195 -0.746 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.545 -6.485 -1.239 1.00 1.00 S ATOM 0 H CYS A 105 -5.952 -9.797 -1.623 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.518 -8.541 -2.776 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -4.938 -8.208 -0.246 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.237 -8.569 -0.031 1.00 1.00 H new ATOM 0 HG CYS A 105 -3.518 -5.724 -0.186 1.00 1.00 H new ATOM 1573 N HIS A 106 -3.882 -11.290 -0.959 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.322 -12.594 -0.623 1.00 1.00 C ATOM 1575 C HIS A 106 -4.244 -13.708 -1.150 1.00 1.00 C ATOM 1576 O HIS A 106 -4.696 -14.578 -0.409 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.066 -12.649 0.891 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.004 -11.721 1.434 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.731 -11.769 1.032 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.072 -10.714 2.367 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.032 -10.830 1.688 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.812 -10.149 2.526 1.00 1.00 N ATOM 0 H HIS A 106 -4.794 -11.113 -0.538 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.360 -12.753 -1.109 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.003 -12.430 1.403 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.791 -13.671 1.153 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -2.964 -10.410 2.894 1.00 1.00 H new ATOM 0 HE1 HIS A 106 1.024 -10.650 1.554 1.00 1.00 H new ATOM 0 HE2 HIS A 106 -0.545 -9.384 3.146 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.511 -13.658 -2.457 1.00 1.00 N ATOM 1591 CA PRO A 107 -5.351 -14.607 -3.156 1.00 1.00 C ATOM 1592 C PRO A 107 -4.704 -15.984 -3.119 1.00 1.00 C ATOM 1593 O PRO A 107 -3.797 -16.225 -2.326 1.00 1.00 O ATOM 1594 CB PRO A 107 -5.433 -14.079 -4.586 1.00 1.00 C ATOM 1595 CG PRO A 107 -4.202 -13.227 -4.756 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.997 -12.649 -3.358 1.00 1.00 C ATOM 0 HA PRO A 107 -6.340 -14.708 -2.710 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -5.451 -14.895 -5.308 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -6.341 -13.496 -4.741 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -3.344 -13.816 -5.080 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.351 -12.444 -5.500 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.943 -12.447 -3.165 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -4.529 -11.705 -3.239 1.00 1.00 H new